SCHEMBL6156866

SCHEMBL6156866

CNc1nc(C)c(-c2ccnc(Nc3cccc(Br)c3)n2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.77
CDK4 P11802 12/20 0.77
CDK9 P50750 11/20 0.70
CCNA2 P20248 8/20 0.70
CDK1 P06493 8/20 0.70
CDK7 P50613 8/20 0.70
CCNT1 O60563 7/20 0.70
CCNB1 P14635 5/20 0.70
CCNH P51946 5/20 0.70
CCNA1 P78396 4/20 0.70
PLK1 P53350 1/20 0.65
AURKA O14965 4/20 0.62
AURKB Q96GD4 4/20 0.62
FLT3 P36888 2/20 0.56
CHEK1 O14757 1/20 0.56
DAPK3 O43293 1/20 0.56
JAK2 O60674 1/20 0.56
PRKD3 O94806 1/20 0.56
PAK4 O96013 1/20 0.56
ABL1 P00519 1/20 0.56

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
SCHEMBL4164522 0.88 CDK2 (0.64) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL6158722 0.87 CDK2 (0.75) CDK2CDK4CDK9CDK1CDK7
SCHEMBL6158717 0.87 CDK2 (0.77) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL2281331 0.87 CDK2 (1.00) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL6160331 0.87 CDK2 (0.78) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL6157845 0.87 CDK2 (0.78) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL6157175 0.86 CDK2 (0.78) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL4798606 0.85 CDK2 (0.69) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL2286476 0.85 CDK2 (0.74) CDK2CDK4CDK9CCNA2CDK1
SCHEMBL4167943 0.84 CDK2 (0.69) CDK2CDK4CDK9CCNA2CDK1

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
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US claimed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP claimed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO claimed
US-20030149057-A1 Anti-cancer compounds CYCLACEL LIMITED (GB) 2003-08-07 US 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
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US disclosed
EP-1581231-A1 ANTI-VIRAL COMPOUNDS Cyclacel Limited (GB) 2005-10-05 EP disclosed
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 WO 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
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 3/4885CDK9 5/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 CDK2 2/4885CDK4 3/4885CDK9 5/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CDK4 477/4885CDK9 855/4885

“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.