SCHEMBL2200496

SCHEMBL2200496

NC(=O)Nc1[nH]c(-c2cc(F)cc(F)c2)cc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.42
MEN1 O00255 1/20 0.40
IKBKB O14920 1/20 0.40
JAK2 O60674 1/20 0.40
EIF2AK2 P19525 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.39
MAPK8 P45983 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHEK1 O14757 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
BTK Q06187 2/20 0.34

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
SCHEMBL2197274 0.86 CDC7 (0.57) CDC7MEN1IKBKBJAK2EIF2AK2
SCHEMBL2196883 0.85 CDC7 (0.56) CDC7MEN1IKBKBJAK2EIF2AK2
SCHEMBL2203027 0.81 IDO1 (0.43) CDC7MEN1IKBKBJAK2EIF2AK2
SCHEMBL2200146 0.79 BRD4 (0.62) CDC7IKBKBJAK2BRD4CCNA2
SCHEMBL4343610 0.79 CDC7 (0.45) CDC7BRD4CCNA2CDK2CCNA1
SCHEMBL2199496 0.79 CASP1 (0.50) CDC7MEN1IKBKBJAK2EIF2AK2
SCHEMBL2201619 0.78 BRD4 (0.45) CDC7MEN1IKBKBJAK2EIF2AK2
SCHEMBL2198026 0.77 CDC7 (0.57) CDC7BRD4CCNA2CDK2CCNA1
SCHEMBL2198095 0.77 CDC7 (0.57) CDC7BRD4CHEK1BTK
SCHEMBL2198480 0.77 NPC1 (0.46) CDC7IKBKBBRD4CHEK1CCNA2

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 CDC7 4329/4885MEN1 4817/4885IKBKB 74/4885

“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.