SCHEMBL2086977

SCHEMBL2086977

Cc1[nH]c(=O)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.73
CDK4 P11802 12/20 0.68
CCNT1 O60563 5/20 0.68
CDK9 P50750 5/20 0.68
ABL1 P00519 4/20 0.68
CDK1 P06493 3/20 0.68
CCNB1 P14635 3/20 0.68
CDK7 P50613 3/20 0.68
CCNH P51946 3/20 0.68
CCNA2 P20248 2/20 0.68
GSK3B P49841 2/20 0.68
CCND1 P24385 2/20 0.68
CCNE1 P24864 2/20 0.68
AURKA O14965 1/20 0.68
CCNB2 O95067 1/20 0.68
CCNE2 O96020 1/20 0.68
ABL2 P42684 1/20 0.68
MNAT1 P51948 1/20 0.68
CDK5 Q00535 1/20 0.68
CDK5R1 Q15078 1/20 0.68

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
SCHEMBL29354713 0.85 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL6156443 0.85 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2086543 0.84 CDK2 (0.61) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2086596 0.82 CDK2 (0.70) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL29644994 0.81 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL4615663 0.81 CDK2 (0.81) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL1368256 0.81 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2282051 0.80 CDK2 (1.00) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL4616130 0.80 CDK2 (0.80) CDK2CDK4CCNT1CDK9ABL1
SCHEMBL2084090 0.80 CDK2 (0.70) CDK2CDK4CCNT1CDK9ABL1

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
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP claimed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US claimed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP claimed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO claimed
JP-2007509117-A 2007-04-12 JP claimed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US claimed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP claimed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 WO claimed
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP disclosed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP disclosed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP disclosed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 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-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 CDK2 459/4885CDK4 703/4885CCNT1 490/4885

“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.