SCHEMBL6385129

SCHEMBL6385129

Cc1cccc(CC(=O)Nc2cc(C3CCC3)[nH]n2)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.72
CCNA2 P20248 12/20 0.72
CCNA1 P78396 12/20 0.72
CDK5 Q00535 4/20 0.68
CDK9 P50750 3/20 0.68
CCNE1 P24864 3/20 0.68
CDK5R1 Q15078 3/20 0.68
CCNB2 O95067 1/20 0.63
CCNE2 O96020 1/20 0.63
CDK1 P06493 1/20 0.63
CCNB1 P14635 1/20 0.63
CCNB3 Q8WWL7 1/20 0.63
CCNT1 O60563 1/20 0.62

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
SCHEMBL5867604 0.95 CDK2 (0.78) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6389294 0.88 CDK2 (0.71) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL25649664 0.87 CDK2 (0.78) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6387310 0.87 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6391265 0.87 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6385145 0.85 CDK2 (0.90) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6193357 0.84 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5868089 0.84 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6386478 0.84 CDK2 (0.88) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867540 0.83 CDK2 (0.78) CDK2CCNA2CCNA1CDK5CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US disclosed
EP-1313710-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Pfizer Products Inc. (US) 2003-05-28 EP disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 US disclosed
WO-2002018346-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PFIZER PRODUCTS INC. (US) 2002-03-07 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 (2 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 CDK2 7/4885CCNA2 482/4885CCNA1 175/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 CDK2 5/4885CCNA2 558/4885CCNA1 251/4885

“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.