SCHEMBL4613643

SCHEMBL4613643

Cc1c(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)c(C)n(C)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.50
CDK4 P11802 10/20 0.50
AURKB Q96GD4 3/20 0.50
CCNE1 P24864 2/20 0.50
AURKA O14965 1/20 0.50
CDK1 P06493 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
SCN9A Q15858 1/20 0.42
IKBKB O14920 1/20 0.42
KDR P35968 5/20 0.40
PTK2 Q05397 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PLK1 P53350 3/20 0.39
AKT1 P31749 2/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL6597472 0.82 CDK2 (0.49) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL4613610 0.80 CDK2 (0.58) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL6600528 0.78 CDK2 (0.50) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL4615032 0.77 CDK2 (0.77) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL2084979 0.73 CDK2 (0.65) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL1412198 0.72 CDK2 (0.50) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL5204200 0.71 CDK2 (0.59) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL12275151 0.70 BRD4 (0.54) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL6597467 0.70 CDK2 (0.73) CDK2CDK4AURKBCCNE1AURKA
SCHEMBL7467187 0.69 CDK2 (0.60) CDK2CDK4AURKBCCNE1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100425239-C Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2008-10-15 CN claimed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP claimed
CN-1720049-A Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2006-01-11 CN 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
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO claimed
CN-100425239-C Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2008-10-15 CN disclosed
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
CN-1720049-A Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LTD (GB) 2006-01-11 CN disclosed
US-20050282843-A1 Therapeutic applications of 2-substituted 4-heteroarylpyrimidines CYCLACEL LIMITED (GB) 2005-12-22 US disclosed
EP-1572211-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES Cyclacel Limited (GB) 2005-09-14 EP disclosed
WO-2004056368-A1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLRYRIMIDINES CYCLACEL LIMITED (GB) 2004-07-08 WO 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 (1 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 1254/4885AURKB 2654/4885

“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.