SCHEMBL4613772

SCHEMBL4613772

Cc1[nH]c([N+](=O)[O-])c(C)c1-c1ccnc(Nc2ccc(N(C)C)cc2)n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.77
CDK4 P11802 14/20 0.77
CCNE1 P24864 2/20 0.52
AURKA O14965 1/20 0.52
CDK1 P06493 1/20 0.52
CDK7 P50613 1/20 0.52
CDK9 P50750 1/20 0.52
AURKB Q96GD4 1/20 0.52
EIF2AK2 P19525 3/20 0.47
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43

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
SCHEMBL4614634 0.87 CDK2 (1.00) CDK2CDK4EIF2AK2PIK3CAPIK3CB
SCHEMBL6911490 0.87 CDK2 (0.80) CDK2CDK4EIF2AK2
SCHEMBL4615045 0.85 CDK2 (0.68) CDK2CDK4EIF2AK2
SCHEMBL4615032 0.79 CDK2 (0.77) CDK2CDK4CCNE1AURKACDK1
SCHEMBL5204200 0.74 CDK2 (0.59) CDK2CDK4CCNE1AURKACDK1
SCHEMBL4614032 0.73 CDK2 (0.80) CDK2CDK4EIF2AK2
SCHEMBL4733185 0.72 PLK1 (0.79) CDK2CDK4CCNE1AURKACDK1
SCHEMBL6597467 0.71 CDK2 (0.73) CDK2CDK4CCNE1AURKACDK1
SCHEMBL8325791 0.71 CDK2 (0.56) CDK2CDK4PIK3CAPIK3CBPIK3CG
SCHEMBL4613380 0.70 CDK2 (0.76) CDK2CDK4CCNE1AURKACDK1

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 13 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-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CYCLACEL LIMITED (GB) 2004-07-08 US 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
EP-1373253-B1 INHIBITORS OF CYCLIN DEPENDENT KINASES AS ANTI-CANCER AGENT CYCLACEL LTD (GB) 2007-06-20 EP 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

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 1254/4885CCNE1 1142/4885
US-20070185134-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885CCNE1 39/4885
US-20040132746-A1 Inhibitors of cyclin dependent kinases as anti-cancer agent CDK2, CCNK, CDK3 CDK2 1/4885CDK4 5/4885CCNE1 39/4885

“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.