SCHEMBL2200754

SCHEMBL2200754

NC(=O)Nc1[nH]c(-c2ccc(C#Cc3ccccc3)cc2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CDC7 O00311 9/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
IKBKB O14920 6/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
HNF4A P41235 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
SCHEMBL12423887 0.88 BRD4 (0.59) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2200146 0.87 BRD4 (0.62) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL4355880 0.85 BRD4 (0.38) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198243 0.84 CDC7 (0.47) BRD4CDC7
SCHEMBL2201619 0.80 BRD4 (0.45) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198026 0.79 CDC7 (0.57) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2198480 0.79 NPC1 (0.46) BRD4NPC1RAB9ACDC7CCNA2
SCHEMBL2198095 0.79 CDC7 (0.57) BRD4CDC7
SCHEMBL12509725 0.79 BRD4 (0.44) BRD4CDC7CCNA2CDK2CCNA1
SCHEMBL2197274 0.79 CDC7 (0.57) BRD4RAB9ACDC7IKBKBJAK2

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 6 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

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 BRD4 497/4885NPC1 3128/4885RAB9A 1434/4885

“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.