SCHEMBL2196863

SCHEMBL2196863

NC(=O)Nc1[nH]c(-c2cc(F)c(F)cc2F)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 6/20 0.38
BRD4 O60885 6/20 0.35
ALPL P05186 2/20 0.35
JAK2 O60674 2/20 0.34
IKBKB O14920 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EIF2AK2 P19525 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MAPK8 P45983 2/20 0.33
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
PRKD3 O94806 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKCG P05129 1/20 0.33
CDK1 P06493 1/20 0.33
PRKACA P17612 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
SCHEMBL2198205 0.84 BRD4 (0.40) CDC7BRD4JAK2IKBKBMEN1
SCHEMBL2201098 0.84 BRD4 (0.43) CDC7BRD4ALPLJAK2IKBKB
SCHEMBL2196845 0.82 CDC7 (0.51) CDC7BRD4JAK2IKBKB
SCHEMBL4348090 0.80 BRD4 (0.41) CDC7BRD4ALPLJAK2MAPK8
SCHEMBL2203027 0.79 IDO1 (0.43) CDC7BRD4JAK2IKBKBMEN1
SCHEMBL2202033 0.79 GRM2 (0.43) CDC7IKBKBPRKCZ
SCHEMBL2197740 0.77 IDO1 (0.42) CDC7BRD4JAK2IKBKBMEN1
SCHEMBL2200496 0.77 CDC7 (0.42) CDC7BRD4JAK2IKBKBMEN1
SCHEMBL2197274 0.76 CDC7 (0.57) CDC7BRD4JAK2IKBKBMEN1
SCHEMBL13446750 0.75 BRD4 (0.39) CDC7BRD4JAK2IKBKBMEN1

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 12 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 claimed
US-7977371-B2 Pyrrole derivative having ureido group and aminocarbonyl group as substituents SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-12 US claimed
US-20100099675-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDO GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US claimed
EP-2116530-A1 NOVEL PYRROLE DERIVATIVE HAVING UREIDE GROUP AND AMINOCARBONYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-11-11 EP claimed
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

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 CDC7 4329/4885BRD4 497/4885ALPL 3960/4885

“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.