SCHEMBL4119697

SCHEMBL4119697

[CH2]C(CC)n1c(O)nc2ncc(Cl)c(-c3ccc(F)c(F)c3)c21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 1/20 0.34
GRIN2B Q13224 5/20 0.33
GRIN1 Q05586 1/20 0.33
GCGR P47871 1/20 0.33
TGFBR1 P36897 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL3396213 1.00 USP7 (0.34) USP7GRIN2BGRIN1GCGRTGFBR1
SCHEMBL2301732 0.89 MET (0.32) USP7GCGR
SCHEMBL2302651 0.89 PGR (0.36) USP7GRIN2BGRIN1GCGR
SCHEMBL2300057 0.86 PGR (0.35) USP7GRIN2BGRIN1GCGRTGFBR1
SCHEMBL2299477 0.86 PGR (0.35) USP7GRIN2BGRIN1GCGRTGFBR1
SCHEMBL2300197 0.83 PGR (0.34) GRIN2BKDM4CKMO
SCHEMBL16503270 0.80 GRIN2B (0.33) GRIN2BGRIN1
SCHEMBL2298097 0.80 GRIN2B (0.33) GRIN2BGRIN1
SCHEMBL2301131 0.78 PDGFRB (0.38)
SCHEMBL16503269 0.78 EGFR (0.33) USP7GRIN2BGRIN1

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 2 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 disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 US 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 3474/4885GRIN2B 3318/4885GRIN1 2428/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 USP7 3466/4885GRIN2B 3416/4885GRIN1 2378/4885

“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.