SCHEMBL6156799

SCHEMBL6156799

Cc1nc(-c2cccnc2)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.73
BCR P11274 6/20 0.73
PRKCA P17252 4/20 0.73
EGFR P00533 2/20 0.73
SRC P12931 2/20 0.73
CDK2 P24941 10/20 0.73
CDK4 P11802 7/20 0.72
CCNT1 O60563 6/20 0.72
CDK9 P50750 6/20 0.72
CDK1 P06493 4/20 0.72
CCNB1 P14635 4/20 0.72
CCNA2 P20248 3/20 0.72
CDK7 P50613 3/20 0.72
CCNH P51946 3/20 0.72
CCNA1 P78396 2/20 0.72
GSK3B P49841 2/20 0.70
AURKA O14965 1/20 0.70
CCNB2 O95067 1/20 0.70
CCNE2 O96020 1/20 0.70
CCND1 P24385 1/20 0.70

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
SCHEMBL2288580 0.92 CDK2 (0.77) ABL1BCRPRKCAEGFRSRC
SCHEMBL1977 0.85 ABL1 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL6156443 0.85 CDK2 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL29354713 0.85 CDK2 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL2282051 0.84 CDK2 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL27720404 0.83 CDK2 (0.67) ABL1BCRPRKCAEGFRCDK2
SCHEMBL29644994 0.83 CDK2 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL1368256 0.83 CDK2 (1.00) ABL1BCRPRKCAEGFRSRC
SCHEMBL4615663 0.83 CDK2 (0.81) ABL1BCRPRKCAEGFRSRC
SCHEMBL4616130 0.82 CDK2 (0.80) ABL1BCRPRKCAEGFRSRC

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 15 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
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 ABL1 177/4885BCR 947/4885PRKCA 626/4885
US-20030149057-A1 Anti-cancer compounds CDK3, CDK2, CDK4 ABL1 177/4885BCR 947/4885PRKCA 626/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 ABL1 215/4885BCR 4055/4885PRKCA 4014/4885

“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.