SCHEMBL5867593

SCHEMBL5867593

O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.65
CCNA2 P20248 8/20 0.65
CCNA1 P78396 8/20 0.65
CCNE1 P24864 2/20 0.59
CDK5 Q00535 2/20 0.59
CDK5R1 Q15078 2/20 0.59
CDK9 P50750 1/20 0.59
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 1/20 0.49
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CCNB2 O95067 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
NPY5R Q15761 1/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46

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
SCHEMBL5867926 0.93 CDK2 (0.62) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867623 0.87 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867471 0.87 CDK2 (0.53) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867496 0.86 LMNA (0.50) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867524 0.86 CDK2 (0.49) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867749 0.85 CDK2 (0.49) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867860 0.85 CDK2 (0.49) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867687 0.85 CDK2 (0.49) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL12589642 0.85 CCNA2 (0.65) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867952 0.84 CDK2 (0.48) CDK2CCNA2CCNA1CCNE1CDK5

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US claimed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP claimed
JP-2003507329-A 2003-02-25 JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO claimed
US-20170081347-A1 FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2017-03-23 US disclosed
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP disclosed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP disclosed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP disclosed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US disclosed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 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-20170081347-A1 FUNCTIONALIZED AZABORINE COMPOUNDS AND AZABORINE-CONTAINING BIARYLCARBOXAMIDES, AND COMPOSITIONS AND METHODS THEREOF BRD7, BRD2, AADAC CDK2 1586/4885CCNA2 2623/4885CCNA1 2656/4885

“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.