SCHEMBL2087401

SCHEMBL2087401

Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2sc(=O)n(C)c2C)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.57
CDK2 P24941 11/20 0.50
ALDH1A1 P00352 1/20 0.50
CCNT1 O60563 5/20 0.49
CDK9 P50750 5/20 0.49
CDK7 P50613 3/20 0.49
CDK4 P11802 6/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 2/20 0.48
CCNA2 P20248 2/20 0.48
CCNH P51946 2/20 0.48
AURKA O14965 2/20 0.48
GSK3B P49841 2/20 0.48
CDK5 Q00535 2/20 0.48
AURKB Q96GD4 2/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
ABL1 P00519 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48

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
SCHEMBL2088261 0.89 MKNK2 (0.54) MKNK2CDK2CCNT1CDK9CDK7
SCHEMBL2086596 0.84 CDK2 (0.70) MKNK2CDK2CCNT1CDK9CDK7
SCHEMBL2087336 0.82 CDK2 (0.56) MKNK2CDK2ALDH1A1CCNT1CDK9
SCHEMBL2088287 0.82 MKNK2 (0.80) MKNK2CDK2CCNT1CDK9CDK7
SCHEMBL2086860 0.81 MKNK2 (0.58) MKNK2CDK2CCNT1CDK9CDK7
SCHEMBL4737147 0.80 ALDH1A1 (0.57) CDK2ALDH1A1CCNT1CDK9CDK7
SCHEMBL2573788 0.78 ABL1 (0.65) CDK2ALDH1A1CDK4ABL1GAA
SCHEMBL24885800 0.77 CDK2 (0.58) MKNK2CDK2ALDH1A1CCNT1CDK9
SCHEMBL2085427 0.77 MKNK2 (0.56) MKNK2CDK2CCNT1CDK9CDK7
SCHEMBL30078238 0.77 CDK2 (0.58) MKNK2CDK2ALDH1A1CCNT1CDK9

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 10 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
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-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 MKNK2 3756/4885CDK2 459/4885ALDH1A1 2669/4885

“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.