SCHEMBL2200873

SCHEMBL2200873

NC(=O)Nc1[nH]c(-c2cc(F)ccc2OCCBr)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
CCNT1 O60563 7/20 0.35
CDK9 P50750 7/20 0.35
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CDC7 O00311 2/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
IKBKB O14920 2/20 0.34
MEN1 O00255 1/20 0.33
JAK2 O60674 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PDE5A O76074 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
NR3C2 P08235 1/20 0.33

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
SCHEMBL2197617 0.90 BRD4 (0.41) BRD4CCNT1CDK9MAPTHSD17B10
SCHEMBL2200320 0.89 BRD4 (0.41) BRD4CCNT1CDK9MAPTHSD17B10
SCHEMBL2198985 0.89 MAPT (0.47) BRD4CCNT1CDK9MAPTHSD17B10
SCHEMBL2199606 0.89 BRD4 (0.41) BRD4CCNT1CDK9MAPTHSD17B10
SCHEMBL2196441 0.87 BRD4 (0.44) BRD4CCNT1CDK9MEN1KMT2A
SCHEMBL2202784 0.86 BRD4 (0.41) BRD4CCNT1CDK9MAPTHSD17B10
SCHEMBL2201886 0.84 HTR2A (0.45) CCNT1CDK9MEN1KMT2A
SCHEMBL2199328 0.83 IKBKB (0.43) BRD4CCNT1CDK9IKBKB
SCHEMBL2197511 0.83 BRD4 (0.46) BRD4CCNT1CDK9CDC7NR3C2
SCHEMBL4344585 0.81 BRD4 (0.45) BRD4CCNT1CDK9CDC7IKBKB

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
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

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 497/4885CCNT1 1261/4885CDK9 2440/4885

“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.