SCHEMBL4339718

SCHEMBL4339718

COc1ccccc1-c1cc(C(N)=O)c(N)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.57
BRD4 O60885 5/20 0.55
PARP1 P09874 1/20 0.50
CHUK O15111 2/20 0.49
INSR P06213 2/20 0.49
MAPK8 P45983 2/20 0.49
CAMKK2 Q96RR4 2/20 0.49
MPO P05164 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.48
MAP2 P11137 2/20 0.45
IKBKB O14920 2/20 0.45

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
SCHEMBL2199976 0.85 BRD4 (0.43) CDC7BRD4
SCHEMBL4347006 0.85 BRD4 (0.48) CDC7BRD4PARP1MEN1MAPT
SCHEMBL13446707 0.85 BRD4 (0.52) CDC7BRD4KDM4EMEN1ALDH1A1
SCHEMBL13630074 0.84 BRD4 (0.56) CDC7BRD4PARP1KDM4EALDH1A1
SCHEMBL13630194 0.83 BRD4 (0.44) CDC7BRD4MAPK8KDM4EALDH1A1
SCHEMBL4344675 0.83 BRD4 (0.46) CDC7BRD4MPOMEN1ALDH1A1
SCHEMBL13446626 0.83 BRD4 (0.50) CDC7BRD4KDM4EMEN1ALDH1A1
SCHEMBL7499322 0.83 ALOX5 (0.48) CDC7BRD4MPOKDM4EMEN1
SCHEMBL2196927 0.82 CDC7 (0.54) CDC7BRD4PARP1CHUKINSR
SCHEMBL4343620 0.82 JAK2 (0.49) CDC7BRD4MAPK8KDM4EMEN1

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 4329/4885BRD4 497/4885PARP1 3322/4885

“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.