SCHEMBL754082

SCHEMBL754082

CC(C)n1cnc2ncncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.47
ADORA1 P30542 2/20 0.47
HDAC6 Q9UBN7 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CDK2 P24941 6/20 0.36
CCNA2 P20248 5/20 0.36
CCNA1 P78396 5/20 0.36
DYRK1A Q13627 5/20 0.36
CDK5 Q00535 4/20 0.36
CDK5R1 Q15078 4/20 0.36
ADORA2B P29275 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
HCAR3 P49019 1/20 0.35
HDAC1 Q13547 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27682122 0.85 ADORA2A (0.38) ADORA2AADORA1HDAC6CDK2CCNA2
SCHEMBL25936242 0.85 ADORA2A (0.38) ADORA2AADORA1HDAC6HDAC1LTA4H
SCHEMBL145694 0.74 HDAC6 (0.40) ADORA2AADORA1HDAC6HDAC1ALDH1A1
SCHEMBL12362498 0.73 HPGD (0.35) SMN1; SMN2PI4KBHCAR3ALDH1A1MAPK14
SCHEMBL21311362 0.73 ADA (0.36) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13044929 0.73 HDAC6 (0.47) ADORA2AADORA1HDAC6SMN1; SMN2CDK2
SCHEMBL28290150 0.72 LTA4H (0.40) HDAC6HDAC1MEN1ALDH1A1KMT2A
SCHEMBL17807827 0.70 HCAR3 (0.40) ADORA2AADORA1SMN1; SMN2CDK2ADORA2B
SCHEMBL17446062 0.70 MET (0.50) ADORA2AADORA1SMN1; SMN2DYRK1ACDK5
SCHEMBL30888970 0.70 MET (0.50) ADORA2AADORA1SMN1; SMN2DYRK1ACDK5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 102 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-11-16 US disclosed
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-11-16 US disclosed
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER GENENTECH, INC. 2023-08-03 US disclosed
US-20230167093-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-06-01 US disclosed
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-05-25 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230148184-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-05-11 US disclosed
US-20230140983-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC (US) 2023-05-11 US disclosed
US-20230142338-A1 THIOPHENYL DERIVATIVES USEFUL FOR MODULATING NUCLEIC ACID SPLICING REMIX THERAPEUTICS INC. 2023-05-11 US disclosed
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2023-05-09 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-04-15 US disclosed
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs MERCK SHARP & DOHME LLC 2008-04-24 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA1 2913/4885HDAC6 1189/4885
US-11643421-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB ADORA2A 3011/4885ADORA1 3922/4885HDAC6 881/4885
US-20230365566-A1 HETEROCYCLIC AMIDES AND THEIR USE FOR MODULATING SPLICING RBM17, HNRNPA1, HNRNPAB ADORA2A 885/4885ADORA1 1321/4885HDAC6 1093/4885
US-20230159496-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 ADORA2A 900/4885ADORA1 2594/4885HDAC6 2216/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA ADORA2A 4258/4885ADORA1 4406/4885HDAC6 1419/4885
US-20230242550-A1 PROCESS FOR THE PREPARATION OF TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS FOR USING THE SAME FOR THE TREATMENT OF CANCER PIK3CA, PIK3CD, PIK3CB ADORA2A 3011/4885ADORA1 3922/4885HDAC6 881/4885
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 ADORA2A 118/4885ADORA1 32/4885HDAC6 3164/4885
US-20080096878-A1 CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs CALCB, BDKRB2, BDKRB1 ADORA2A 273/4885ADORA1 80/4885HDAC6 3875/4885
US-20230167093-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 ADORA2A 900/4885ADORA1 2594/4885HDAC6 2216/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR ADORA2A 104/4885ADORA1 18/4885HDAC6 3601/4885
US-20230148184-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 ADORA2A 900/4885ADORA1 2594/4885HDAC6 2216/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE ADORA2A 1481/4885ADORA1 2642/4885HDAC6 276/4885
US-20230365526-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 ADORA2A 355/4885ADORA1 1063/4885HDAC6 2987/4885
US-20230142338-A1 THIOPHENYL DERIVATIVES USEFUL FOR MODULATING NUCLEIC ACID SPLICING SNRPA, NSUN3, NSUN2 ADORA2A 1304/4885ADORA1 2452/4885HDAC6 3104/4885
US-20230140983-A1 PYRIDAZINE DERIVATIVES FOR MODULATING NUCLEIC ACID SPLICING SNRPA, RBM17, SNRPB2 ADORA2A 355/4885ADORA1 1063/4885HDAC6 2987/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL ADORA2A 69/4885ADORA1 17/4885HDAC6 3105/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.