SCHEMBL2299674

SCHEMBL2299674

CCC(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(O)cc3)c21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 9/20 0.35
ESR1 P03372 9/20 0.34
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
ESR2 Q92731 5/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL2300689 0.93 USP7 (0.34) USP7HTR2AHTR2CHTR2B
SCHEMBL2297568 0.92 USP7 (0.32) USP7HTR2AHTR2CHTR2B
SCHEMBL2299439 0.91 MET (0.33) USP7HTR2AHTR2CHTR2B
SCHEMBL2297601 0.90 RECQL (0.34) USP7ESR1ESR2HTR2AHTR2C
SCHEMBL3399425 0.90 FYN (0.32)
SCHEMBL2298471 0.89 L3MBTL1 (0.33) HTR2AHTR2CHTR2B
SCHEMBL2300160 0.89 CDK4 (0.30)
SCHEMBL3399594 0.89 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL2298477 0.89 JAK1 (0.38) CDK2
SCHEMBL2298205 0.89 AURKA (0.32) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US claimed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 US disclosed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 USP7 3474/4885ESR1 1982/4885CCNA2 4344/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885ESR1 1824/4885CCNA2 4153/4885

“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.