SCHEMBL2201858

SCHEMBL2201858

CCc1ccc(-c2cc(C(N)=O)c(NC(N)=O)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.55
CDC7 O00311 11/20 0.49
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CHEK2 O96017 2/20 0.39
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
DAPK3 O43293 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
SCHEMBL2199470 0.87 IKBKB (0.45) IKBKBCDC7BRD4CHUKINSR
SCHEMBL4348768 0.85 IKBKB (0.46) IKBKBCDC7BRD4CHUKINSR
SCHEMBL2198095 0.84 CDC7 (0.57) CDC7BRD4PLK4CHEK1DAPK3
SCHEMBL2198609 0.83 PARP1 (0.49) CDC7BRD4CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL2201619 0.82 BRD4 (0.45) IKBKBCDC7BRD4
SCHEMBL2198480 0.81 NPC1 (0.46) IKBKBCDC7BRD4NPC1RAB9A
SCHEMBL2198026 0.81 CDC7 (0.57) CDC7BRD4
SCHEMBL2197274 0.81 CDC7 (0.57) IKBKBCDC7BRD4RAB9AALDH1A1
SCHEMBL12509725 0.81 BRD4 (0.44) IKBKBCDC7BRD4
SCHEMBL12423887 0.81 BRD4 (0.59) IKBKBCDC7BRD4CHUK

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 7 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
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 IKBKB 74/4885CDC7 4329/4885BRD4 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.