SCHEMBL2201447

SCHEMBL2201447

NC(=O)Nc1[nH]c(-c2cc(F)ccc2OCc2cccnc2)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.49
SGMS2 Q8NHU3 3/20 0.46
CDK9 P50750 1/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SRPK3 Q9UPE1 1/20 0.42
KLK8 O60259 4/20 0.41
F2 P00734 4/20 0.41
KLKB1 P03952 4/20 0.41
KLK14 Q9P0G3 4/20 0.41
KLK5 Q9Y337 4/20 0.41
ST14 Q9Y5Y6 4/20 0.41
F10 P00742 3/20 0.41
ELANE P08246 3/20 0.41
ATM Q13315 1/20 0.41
GRM4 Q14833 1/20 0.41
PLAU P00749 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL2199604 0.91 SGMS2 (0.45) LRRK2SGMS2CYP11B1CYP11B2KLK8
SCHEMBL2196441 0.80 BRD4 (0.44) CDK9KMT2A
SCHEMBL2196789 0.79 CDC7 (0.46) SGMS2HTT
SCHEMBL2197617 0.79 BRD4 (0.41) CDK9KMT2AMAPT
SCHEMBL2197053 0.79 BRD4 (0.47) SGMS2HTT
SCHEMBL2198985 0.78 MAPT (0.47) CDK9KMT2AMAPTHTT
SCHEMBL2199606 0.78 BRD4 (0.41) CDK9KMT2AMAPT
SCHEMBL2200320 0.78 BRD4 (0.41) CDK9MAPT
SCHEMBL2200873 0.78 BRD4 (0.41) CDK9KMT2AMAPT
SCHEMBL2197511 0.77 BRD4 (0.46) CDK9

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 LRRK2 1146/4885SGMS2 4779/4885CDK9 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.