SCHEMBL4546571

SCHEMBL4546571

CC(C)n1ccc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 12/20 0.52
MET P08581 4/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RPS6KA4 O75676 2/20 0.41
CDC7 O00311 1/20 0.41
CDK2 P24941 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39

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
SCHEMBL22930553 0.85 RPS6KA5 (0.49) RPS6KA5METMEN1HPGDKMT2A
SCHEMBL28575649 0.81 RPS6KA5 (0.52) RPS6KA5METRPS6KA4CDC7CDK2
SCHEMBL28761669 0.77 RPS6KA5 (0.41) RPS6KA5METMEN1HPGDKMT2A
SCHEMBL2593923 0.77 P2RX7 (0.50) RPS6KA5METMEN1HPGDKMT2A
SCHEMBL12702856 0.75 PSMB5 (0.53) MET
SCHEMBL20970104 0.75 RPS6KA5 (0.40) RPS6KA5MET
SCHEMBL17889739 0.74 RPS6KA5 (0.45) RPS6KA5METMEN1HPGDKMT2A
SCHEMBL256322 0.74 RPS6KA5 (0.57) RPS6KA5METRPS6KA4CDC7CDK2
SCHEMBL29509090 0.74 RPS6KA5 (0.57) RPS6KA5METRPS6KA4CDC7CDK2
SCHEMBL18926931 0.73 RPS6KA5 (0.47) RPS6KA5METRPS6KA4CDC7CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834455-B2 Carm1 inhibitors and uses thereof Epizyme, Inc. (US) 2023-12-05 US disclosed
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2023-09-07 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF THESEUS PHARMACEUTICALS, 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-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2022-12-08 US disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-21 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-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-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY DISCOVERY, INC. (US) 2009-04-16 US disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP 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
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 WO disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 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 (13 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-20230148005-A1 MACROCYCLIC COMPOUNDS AND USES THEREOF EGFR, ERBB2, ERBB3 RPS6KA5 88/4885MET 6/4885MEN1 1792/4885
US-20210323966-A1 IMIDAZOPYRIDAZINE COMPOUNDS TYK2, JAK3, JAK1 RPS6KA5 431/4885MET 3131/4885MEN1 3877/4885
US-20220389037-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, SIK1, PGK1 RPS6KA5 277/4885MET 941/4885MEN1 1442/4885
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 RPS6KA5 259/4885MET 1243/4885MEN1 2370/4885
US-20090099131-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 RPS6KA5 3715/4885MET 3731/4885MEN1 3210/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 RPS6KA5 2742/4885MET 4608/4885MEN1 3418/4885
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 RPS6KA5 259/4885MET 1243/4885MEN1 2370/4885
US-20230279020-A9 CARM1 INHIBITORS AND USES THEREOF CARM1, TIAM1, ADRM1 RPS6KA5 2264/4885MET 314/4885MEN1 918/4885
US-11834455-B2 Carm1 inhibitors and uses thereof CARM1, TIAM1, ADRM1 RPS6KA5 2233/4885MET 316/4885MEN1 917/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RPS6KA5 571/4885MET 3604/4885MEN1 2491/4885
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 RPS6KA5 1965/4885MET 3663/4885MEN1 1206/4885
US-20100093759-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR RPS6KA5 2091/4885MET 3437/4885MEN1 419/4885
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL RPS6KA5 2296/4885MET 3918/4885MEN1 539/4885

“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.