SCHEMBL2201098

SCHEMBL2201098

NC(=O)Nc1[nH]c(-c2ccc(F)cc2F)cc1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
CDC7 O00311 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
JAK2 O60674 2/20 0.40
IKBKB O14920 1/20 0.40
EIF2AK2 P19525 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ALPL P05186 1/20 0.39
CHEK1 O14757 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KIT P10721 2/20 0.39
MAPK8 P45983 1/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
PRKD3 O94806 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK10 P53779 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
SCHEMBL2198205 0.89 BRD4 (0.40) BRD4CDC7MEN1KMT2AJAK2
SCHEMBL2197740 0.85 IDO1 (0.42) BRD4CDC7MEN1KMT2AJAK2
SCHEMBL2196845 0.84 CDC7 (0.51) BRD4CDC7JAK2IKBKBCHEK1
SCHEMBL2196863 0.84 CDC7 (0.38) BRD4CDC7MEN1KMT2AJAK2
SCHEMBL2195955 0.83 CDK9 (0.42) BRD4CDC7MAPK8
SCHEMBL2202033 0.83 GRM2 (0.43) CDC7IKBKBCHEK1KDM4E
SCHEMBL4348635 0.81 BRD4 (0.45) BRD4CDC7MEN1KMT2AJAK2
SCHEMBL2197274 0.81 CDC7 (0.57) BRD4CDC7MEN1KMT2AJAK2
SCHEMBL2197511 0.81 BRD4 (0.46) BRD4CDC7MAPK8
SCHEMBL4344585 0.79 BRD4 (0.45) BRD4CDC7MEN1KMT2AJAK2

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 BRD4 497/4885CDC7 4329/4885MEN1 4817/4885

“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.