SCHEMBL4613380

SCHEMBL4613380

Cc1[nH]c(Br)c(C)c1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.76
CDK4 P11802 11/20 0.76
ABL1 P00519 4/20 0.61
BCR P11274 3/20 0.61
PRKCA P17252 3/20 0.61
EGFR P00533 1/20 0.60
SRC P12931 1/20 0.60
CCNT1 O60563 4/20 0.58
CDK9 P50750 4/20 0.58
CDK1 P06493 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNA2 P20248 2/20 0.58
CDK7 P50613 2/20 0.58
CCNH P51946 2/20 0.58
GSK3B P49841 2/20 0.58
AURKA O14965 1/20 0.58
CCNB2 O95067 1/20 0.58
CCNE2 O96020 1/20 0.58
CCND1 P24385 1/20 0.58
CCNE1 P24864 1/20 0.58

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
SCHEMBL4614974 0.89 CDK2 (0.75) CDK2CDK4ABL1BCRPRKCA
SCHEMBL4613817 0.86 CDK2 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL5206934 0.82 CDK2 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL2086977 0.79 CDK2 (0.73) CDK2CDK4ABL1BCRPRKCA
SCHEMBL824007 0.78 ABL1 (0.84) CDK2CDK4ABL1BCRPRKCA
SCHEMBL6911490 0.78 CDK2 (0.80) CDK2CDK4ABL1BCRPRKCA
SCHEMBL6156443 0.77 CDK2 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL29354713 0.77 CDK2 (1.00) CDK2CDK4ABL1BCRPRKCA
SCHEMBL13154268 0.77 ABL1 (0.65) CDK2CDK4ABL1BCRPRKCA
SCHEMBL1412363 0.76 CDK2 (0.60) CDK2CDK4ABL1BCRPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP claimed
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US claimed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US claimed
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP claimed
US-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US claimed
EP-1572211-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES Cyclacel Limited (GB) 2005-09-14 EP claimed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US claimed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO claimed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP disclosed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP disclosed
US-7262202-B2 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-28 US disclosed
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2007-08-09 US disclosed
US-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US disclosed
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US disclosed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO disclosed
EP-1373253-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT Cyclacel Limited (GB) 2004-01-02 EP disclosed
WO-2002079193-A1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LIMITED (GB) 2002-10-10 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-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines HRH2, HRH3, CYTH3 CDK2 810/4885CDK4 1254/4885ABL1 21/4885
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885ABL1 242/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885ABL1 242/4885

“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.