SCHEMBL2199545

SCHEMBL2199545

NC(=O)Nc1[nH]c(-c2ccccc2OCc2ccccn2)cc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
SYK P43405 9/20 0.43
AURKB Q96GD4 3/20 0.43
INCENP Q9NQS7 3/20 0.43
CHUK O15111 2/20 0.42
INSR P06213 2/20 0.42
MAPK8 P45983 2/20 0.42
CAMKK2 Q96RR4 2/20 0.42
BRD4 O60885 3/20 0.42
CDC7 O00311 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
ERBB2 P04626 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2196789 0.85 CDC7 (0.46) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2197053 0.84 BRD4 (0.47) BRD4
SCHEMBL2199604 0.82 SGMS2 (0.45) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2199229 0.82 BRD4 (0.42) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2197555 0.82 BRD4 (0.49) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2199427 0.81 MAPT (0.55) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2196927 0.81 CDC7 (0.54) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2198470 0.80 BRD4 (0.47) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2199344 0.80 BRD4 (0.45) CHUKINSRMAPK8CAMKK2BRD4
SCHEMBL2201526 0.80 BRD4 (0.45) CHUKINSRMAPK8CAMKK2BRD4

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-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-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
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 PARP10 2738/4885SYK 1244/4885AURKB 4216/4885

“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.