SCHEMBL5778864

SCHEMBL5778864

COc1ccc(CC(=O)Nc2ncc(C3CCC3)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 11/20 0.73
CDK2 P24941 10/20 0.73
CCNE1 P24864 9/20 0.73
CDK5R1 Q15078 2/20 0.73
LMNA P02545 1/20 0.56
THRB P10828 1/20 0.56
CDK9 P50750 1/20 0.56
MAPT P10636 1/20 0.53
GLS O94925 1/20 0.53
CSNK1D P48730 1/20 0.52
EPHX2 P34913 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL5780873 0.85 CCNE1 (0.78) CDK5CDK2CCNE1CDK5R1GLS
SCHEMBL5780891 0.84 CCNE1 (1.00) CDK5CDK2CCNE1CDK5R1CDK9
SCHEMBL5778399 0.84 CCNE1 (0.73) CDK5CDK2CCNE1CDK5R1GLS
SCHEMBL5782939 0.81 CCNE1 (0.72) CDK5CDK2CCNE1LMNAMAPT
SCHEMBL5782475 0.81 CCNE1 (0.71) CDK5CDK2CCNE1CDK5R1LMNA
SCHEMBL15725026 0.80 GLS (0.74) CDK5CDK2LMNATHRBCDK9
SCHEMBL15725112 0.80 GLS (0.74) CDK5CDK2LMNATHRBCDK9
SCHEMBL27572348 0.80 CCNE1 (0.70) CDK5CDK2CCNE1CDK5R1GLS
SCHEMBL5835776 0.80 CCNE1 (0.70) CDK5CDK2CCNE1LMNATHRB
SCHEMBL5479999 0.79 CCNE1 (0.65) CDK5CDK2CCNE1CDK5R1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP claimed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US claimed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US claimed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 EP claimed
EP-1256578-B1 Thiazole derivatives and their use as cdk inhibitors PFIZER PROD INC (US) 2006-01-11 EP disclosed
US-20040192746-A1 Thiazole derivatives PFIZER INC 2004-09-30 US disclosed
US-6720427-B2 USED TO TREAT ABNORMAL CELL GROWTH AND CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2004-04-13 US disclosed
US-20030078252-A1 Thiazole derivatives PFIZER INC. 2003-04-24 US disclosed
EP-1256578-A1 Thiazole derivatives and their use as cdk inhibitors Pfizer Products Inc. (US) 2002-11-13 EP 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-20030078252-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CDK5 3/4885CDK2 10/4885CCNE1 112/4885
US-20040192746-A1 Thiazole derivatives CDK1, CDKL1, CDK5 CDK5 3/4885CDK2 10/4885CCNE1 112/4885

“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.