SCHEMBL4351522

SCHEMBL4351522

COc1ccc(-c2cc(C(N)=O)c(N)[nH]2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
CDC7 O00311 2/20 0.43
JAK2 O60674 1/20 0.42
KMO O15229 2/20 0.41
CHEK2 O96017 2/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
BRD4 O60885 1/20 0.40
CSF1R P07333 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
MAPT P10636 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
SCHEMBL28781215 0.90 RIPK2 (0.46) PARP1CDC7JAK2KMOBRD4
SCHEMBL4346539 0.84 JAK2 (0.50) PARP1CDC7JAK2PTGS1PTGS2
SCHEMBL2197615 0.84 PARP1 (0.41) PARP1CDC7KMOCHEK2CSF1R
SCHEMBL4352604 0.83 ALOX15 (0.45) CDC7JAK2CHEK2BRD4MEN1
SCHEMBL27909713 0.80 PARP1 (0.39) PARP1CDC7JAK2KMOCHEK2
SCHEMBL4339923 0.80 CASP1 (0.52) CDC7JAK2KMOCHEK2BRD4
SCHEMBL4344966 0.79 CDC7 (0.64) PARP1CDC7PTGS2BRD4MAPT
SCHEMBL2199508 0.79 JAK2 (0.57) CDC7JAK2BRD4MEN1KMT2A
SCHEMBL4351518 0.77 MAPK14 (0.48) PARP1CDC7BRD4
SCHEMBL4343620 0.76 JAK2 (0.49) CDC7JAK2CHEK2BRD4MEN1

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
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
WO-2010024226-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR BONE/JOINT DISEASES COMPRISING, AS ACTIVE INGREDIENT, PYRROLE DERIVATIVE HAVING UREIDE GROUP, AMINOCARBONYL GROUP AND SUBSTITUTED PHENYL GROUP AS SUBSTITUENTS 参天製薬株式会社 (JP) 2010-03-04 WO 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 PARP1 3322/4885CDC7 4329/4885JAK2 256/4885

“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.