SCHEMBL4351567

SCHEMBL4351567

COc1ccc(-c2cc(C(N)=O)c(N)[nH]2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.46
CDC7 O00311 3/20 0.43
PRKAB2 O43741 2/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAA1 Q13131 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
PRKCZ Q05513 1/20 0.42
CPS1 P31327 2/20 0.41
BRD4 O60885 2/20 0.40
PARP10 Q53GL7 2/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
KDM4E B2RXH2 2/20 0.39
AMY1A P0DUB6 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 1/20 0.38

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
SCHEMBL2202033 0.84 GRM2 (0.43) GRM2CDC7PRKAB2PRKAG1PRKAA2
SCHEMBL4344675 0.83 BRD4 (0.46) CDC7BRD4
SCHEMBL4348635 0.82 BRD4 (0.45) CDC7PRKAA1PRKCZBRD4KDM4E
SCHEMBL4344966 0.79 CDC7 (0.64) CDC7BRD4PARP10KDM4ERXFP1
SCHEMBL2199976 0.79 BRD4 (0.43) CDC7BRD4
SCHEMBL4346833 0.77 CDC7 (0.54) CDC7BRD4
SCHEMBL4348090 0.77 BRD4 (0.41) CDC7PRKCZBRD4
SCHEMBL4347006 0.76 BRD4 (0.48) CDC7BRD4
SCHEMBL4346465 0.76 CDC7 (0.62) CDC7BRD4
SCHEMBL72082 0.75 CPS1 (0.61) CPS1PARP10PARP15PARP14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116530-B1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-14 EP disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP disclosed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 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 (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-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS UACA, IL6, IL6ST GRM2 4413/4885CDC7 4329/4885PRKAB2 4243/4885

“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.