SCHEMBL4339819

SCHEMBL4339819

NC(=O)c1cc(-c2ccc(F)cc2)[nH]c1N

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 12/20 0.61
BTK Q06187 4/20 0.50
BRD4 O60885 1/20 0.47
IKBKB O14920 3/20 0.46
MEN1 O00255 1/20 0.46
JAK2 O60674 1/20 0.46
EIF2AK2 P19525 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHUK O15111 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42

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
SCHEMBL4343610 0.85 CDC7 (0.45) CDC7BTKBRD4CCNA2CDK2
SCHEMBL4351548 0.84 IDO1 (0.46) CDC7BTKBRD4CCNA2CDK2
SCHEMBL13630526 0.83 BRD4 (0.47) CDC7BRD4CCNA2CDK2CCNA1
SCHEMBL4351518 0.83 MAPK14 (0.48) CDC7BRD4IKBKBCHUKCCNA2
SCHEMBL12423845 0.83 BRD4 (0.64) CDC7BRD4IKBKBJAK2CHUK
SCHEMBL4346525 0.83 CDC7 (0.61) CDC7BTKBRD4
SCHEMBL2196043 0.83 CDC7 (0.61) CDC7BRD4MEN1KMT2ACCNA2
SCHEMBL4351487 0.83 BRD4 (0.68) CDC7BRD4IKBKBJAK2CCNA2
SCHEMBL4347270 0.83 CDC7 (0.60) CDC7BRD4MEN1KMT2ACCNA2
SCHEMBL12509721 0.81 BRD4 (0.45) CDC7BRD4CCNA2CDK2CCNA1

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 8 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-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
WO-2010024226-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR BONE/JOINT DISEASES COMPRISING, AS ACTIVE INGREDIENT, PYRROLE DERIVATIVE HAVING UREIDE GROUP, AMINOCARBONYL GROUP AND SUBSTITUTED PHENYL GROUP AS SUBSTITUENTS 参天製薬株式会社 (JP) 2010-03-04 WO 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 4329/4885BTK 1718/4885BRD4 497/4885

“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.