SCHEMBL754049

SCHEMBL754049

CC(C)n1cnc2c(N(C)C)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
ADORA1 P30542 2/20 0.60
PI4KA P42356 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPK1 P28482 1/20 0.58
CDK1 P06493 6/20 0.47
CCNB2 O95067 5/20 0.47
CCNB1 P14635 5/20 0.47
CCNB3 Q8WWL7 5/20 0.47
CDK2 P24941 1/20 0.46
CDK5 Q00535 1/20 0.44

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
SCHEMBL22326756 0.87 CYP1A2 (0.55) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6364457 0.87 ADORA2A (0.61) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21943154 0.84 ADORA2A (0.64) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13244955 0.82 CDK2 (0.57) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6363839 0.81 ADORA2A (0.58) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL21539317 0.80 CYP1A2 (0.51) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL13396186 0.78 ADORA2A (0.48) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL6364195 0.77 ADORA2A (0.54) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL22399739 0.77 CYP1A2 (0.52) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL15387122 0.77 CDK1 (0.57) ADORA2AADORA2BADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed
US-20240240182-A1 HUMAN CHROMOSOME 9 OPEN READING FRAME 72 (C9ORF72) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-07-18 US disclosed
US-20240209373-A1 ELONGATION OF VERY LONG CHAIN FATTY ACIDS PROTEIN 1 (ELOVL1) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209373-A1 ELONGATION OF VERY LONG CHAIN FATTY ACIDS PROTEIN 1 (ELOVL1) iRNA AGENT COMPOSITIONS AND METHODS OF USE THEREOF ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ALNYLAM PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-20240067972-A1 DIPEPTIDYL PEPTIDASE 4 (DPP4) IRNA COMPOSITIONS AND METHODS OF USE THEREOF BANK OF AMERICA, N.A. 2024-02-29 US disclosed
WO-2024006953-A2 MONOMERS AND METHODS FOR SYNTHESIS OF MODIFIED OLIGONUCLEOTIDES ALNYLAM PHARMACEUTICALS, INC. (US) 2024-01-04 WO disclosed
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2014-06-05 US disclosed
US-8653077-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-02-18 US disclosed
US-8637533-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-28 US disclosed
US-8623881-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2014-01-07 US disclosed
US-8492389-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2013-07-23 US disclosed
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-07-05 US disclosed
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION (US) 2012-05-31 US disclosed
US-8138195-B2 Inhibitors of human phosphatidylinositol 3-kinase delta ICOS CORPORATION (US) 2012-03-20 US disclosed
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-07-01 US disclosed
US-20100152211-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA ICOS CORPORATION 2010-06-17 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 (8 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 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-20100168139-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-20140154772-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-20120135994-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-20240067972-A1 DIPEPTIDYL PEPTIDASE 4 (DPP4) IRNA COMPOSITIONS AND METHODS OF USE THEREOF DPP4, DPP3, DPP7 ADORA2A 2456/4885ADORA2B 1995/4885ADORA1 2442/4885
US-20120172591-A1 INHIBITORS OF HUMAN PHOSPHATIDYLINOSITOL 3-KINASE DELTA PIK3CD, PIK3CA, PIK3CG ADORA2A 3432/4885ADORA2B 3586/4885ADORA1 2913/4885
US-20240209339-A1 REDIRECTING RISC FOR RNA EDITING ADAR, AGO2, METTL16 ADORA2A 422/4885ADORA2B 780/4885ADORA1 608/4885
US-20240209374-A1 iRNA COMPOSITIONS AND METHODS FOR SILENCING CHITINASE 3-LIKE PROTEIN 1/YKL-40 (CHI3L1/YKL-40) PROTEIN CHI3L1, CHIA, CHI3L2 ADORA2A 3823/4885ADORA2B 3889/4885ADORA1 2776/4885

“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.