SCHEMBL6363136

SCHEMBL6363136

CC(=O)Nc1nc(C)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.76
CDK4 P11802 10/20 0.76
PLK1 P53350 4/20 0.76
CCNA2 P20248 1/20 0.76
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
HTT P42858 1/20 0.65
GFER P55789 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
AURKA O14965 5/20 0.62

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
SCHEMBL2285606 0.90 CDK2 (0.67) CDK2CDK4PLK1CCNA2MEN1
SCHEMBL2283623 0.87 CDK2 (0.77) CDK2CDK4PLK1CCNA2MEN1
SCHEMBL4312523 0.86 CDK2 (1.00) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL1890923 0.86 PIK3CG (0.60) CDK2CDK4PLK1CCNA2MEN1
SCHEMBL2290008 0.84 CDK2 (0.55) CDK2CDK4PLK1CCNA2MEN1
SCHEMBL1893280 0.83 CDK2 (0.57) CDK2CDK4PLK1CCNA2MEN1
SCHEMBL2076580 0.83 CDK2 (0.74) CDK2CDK4PLK1AURKACDK7
SCHEMBL2289103 0.82 CDK2 (1.00) CDK2CDK4PLK1CCNA2AURKA
SCHEMBL2283248 0.81 CDK2 (0.76) CDK2CDK4PLK1CCNA2ALDH1A1
SCHEMBL2283576 0.81 CDK2 (0.59) CDK2CDK4CCNA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US claimed
CN-1420884-A 2-substituted 4-heteroaryl-pyrimidines and their use in the treatment of proliferative diseases CYCLACEL LTD (GB) 2003-05-28 CN claimed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US claimed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP claimed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US claimed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO claimed
CN-100355751-C 2-substd. 4-heteroaryl-pyrimidines and their use in treatment of proliferative disorders CYCLACEL LTD (GB) 2007-12-19 CN disclosed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
US-6699854-B2 2-SUBSTITUTED 4-HETEROARYL- PYRIMIDINES, INHIBITORS OF CYCLIN-DEPENDENT KINASES (CDKS) CYCLACEL LIMITED (GB) 2004-03-02 US disclosed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US disclosed
CN-1420884-A 2-substituted 4-heteroaryl-pyrimidines and their use in the treatment of proliferative diseases CYCLACEL LTD (GB) 2003-05-28 CN disclosed
US-6531479-B2 Anticancer agents, skin disorders CYCLACEL LIMITED (GB) 2003-03-11 US disclosed
EP-1274705-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2003-01-15 EP disclosed
US-20020019404-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2002-02-14 US disclosed
WO-2001072745-A1 2-SUBSTITUTED 4-HETEROARYL-PYRIMIDINES AND THEIR USE IN THE TREATMETN OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2001-10-04 WO 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-20020019404-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885PLK1 53/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885PLK1 53/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885PLK1 1343/4885

“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.