SCHEMBL13540010

SCHEMBL13540010

Cc1ccc(C2(CN)CCN(c3ncnc4[nH]cnc34)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 11/20 0.57
GSK3B P49841 7/20 0.57
AKT1 P31749 2/20 0.43
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
STK4 Q13043 1/20 0.38
STK3 Q13188 1/20 0.38
ENPP1 P22413 1/20 0.36
ROCK2 O75116 1/20 0.34
CYP2C9 P11712 1/20 0.34
KIT P10721 2/20 0.34
PTPN11 Q06124 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 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
SCHEMBL1002960 0.88 AKT2 (0.72) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL19368577 0.88 AKT2 (0.57) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL1002967 0.88 AKT2 (0.54) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL15290257 0.87 AKT2 (0.48) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL1002503 0.85 AKT2 (0.54) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL12585899 0.85 AKT2 (0.52) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL2781132 0.83 AKT2 (0.46) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL1002195 0.83 AKT2 (0.54) AKT2GSK3BAKT1AURKARPS6KB1
SCHEMBL1000907 0.83 AKT1 (0.60) AKT2GSK3BAKT1
SCHEMBL1003058 0.83 RPS6KB1 (0.61) AKT2GSK3BAKT1AURKARPS6KB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006430-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein ASTEX THERAPEUTICS LIMITED (GB) 2015-04-14 US disclosed
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2014-10-09 US disclosed
US-8809336-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-08-19 US disclosed
US-8796293-B2 Purine and deazapurine derivatives as pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-08-05 US disclosed
US-20140107137-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-17 US disclosed
US-8546407-B2 Ortho-condensed pyridine and pyrimidine derivatives (e.g., purines) as protein kinases inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-10-01 US disclosed
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 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 (3 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-20140107137-A1 Ortho-Condensed Pyridine and Pyrimidine Derivatives (e.g., Purines) as Protein Kinases Inhibitors CDK1, CDK2, CDK3 AKT2 630/4885GSK3B 662/4885AKT1 492/4885
US-20140303177-A1 ORTHO-CONDENSED PYRIDINE AND PYRIMIDINE DERIVATIVES (E.G., PURINES) AS PROTEIN KINASES INHIBITORS CDK2, CDK1, CDK3 AKT2 605/4885GSK3B 649/4885AKT1 476/4885
US-20100022564-A1 PURINE AND DEAZAPURINE DERIVATIVES AS PHARMACEUTICAL COMPOUNDS TPMT, CNKSR1, PRKD3 AKT2 126/4885GSK3B 182/4885AKT1 102/4885

“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.