SCHEMBL2087336

SCHEMBL2087336

Cc1ccc(Nc2nccc(-c3sc(=O)n(C)c3C)n2)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.56
CCNT1 O60563 6/20 0.56
CDK9 P50750 6/20 0.56
CDK7 P50613 4/20 0.56
CDK4 P11802 7/20 0.55
MKNK2 Q9HBH9 3/20 0.52
ALDH1A1 P00352 2/20 0.51
CLK1 P49759 1/20 0.50
CDK1 P06493 4/20 0.48
CCNB1 P14635 3/20 0.48
CCNA2 P20248 3/20 0.48
CCNH P51946 3/20 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

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
SCHEMBL2087794 0.90 CDK2 (0.55) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2087002 0.89 CDK2 (0.72) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2087781 0.87 CDK2 (0.62) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2086596 0.84 CDK2 (0.70) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2086427 0.83 CDK2 (0.60) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2086406 0.83 CDK2 (0.60) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2087401 0.82 MKNK2 (0.57) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2086543 0.82 CDK2 (0.61) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL14073065 0.82 CDK2 (0.58) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL2084100 0.81 CDK2 (0.60) CDK2CCNT1CDK9CDK7CDK4

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 32 patents — showing the first 20. 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-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US claimed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP claimed
EP-1572211-B1 THERAPEUTIC APPLICATIONS OF 2-SUBSTITUTED 4-HETEROARYLPYRIMIDINES CYCLACEL LTD (GB) 2008-02-20 EP claimed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO claimed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US claimed
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2006-09-07 US claimed
US-20050288307-A1 Anti-viral compounds CYCLACEL LIMITED (GB) 2005-12-29 US 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
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
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
US-7427627-B2 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CYCLACEL LIMITED (GB) 2008-09-23 US disclosed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 WO 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
WO-2004043467-A1 ANTI-VIRAL COMPOUNDS CYCLACEL LIMITED (GB) 2004-05-27 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 (4 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 810/4885CCNT1 1595/4885CDK9 2035/4885
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 CDK2 459/4885CCNT1 490/4885CDK9 1001/4885
US-20060199830-A1 N-(4-(4-methylthiazol-5-yl) pyrimidin-2-yl)-N-phenylamines as antiproliferative compounds CDK4, CDK2, CCNI CDK2 2/4885CCNT1 22/4885CDK9 10/4885
US-20050288307-A1 Anti-viral compounds MAVS, HAVCR2, EIF2AK2 CDK2 205/4885CCNT1 1659/4885CDK9 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.