SCHEMBL4481644

SCHEMBL4481644

CCNC(=O)Nc1[nH]cc(-c2ccc(N)cc2)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.43
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
ABL1 P00519 3/20 0.36
KIT P10721 1/20 0.35
CYP3A4 P08684 1/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
PDGFRB P09619 2/20 0.35
JAK1 P23458 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PRKCZ Q05513 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 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
SCHEMBL4470289 0.85 POLB (0.43) KDRMAPK1MAPTPRKCZGSK3B
SCHEMBL4486233 0.83 PKM (0.37) KDRCCNCCDK8CYP3A4PDGFRB
SCHEMBL4475436 0.82 GSK3B (0.46) KDRCDK8MAPTGSK3AGSK3B
SCHEMBL4485740 0.75 CAMKK2 (0.35) KDRMAPK8CCNCCDK8ABL1
SCHEMBL4481101 0.72 ALDH1A1 (0.46) KDRMAPK1CYP3A4SRCMAPT
SCHEMBL4482796 0.70 KDR (0.53) KDRKITPDGFRBRAB9A
SCHEMBL4490967 0.70 NPC1 (0.54) KDRMAPK1KITCYP3A4FGFR1
SCHEMBL4491792 0.70 MEN1 (0.57) KDRABL1KITFGFR1SRC
SCHEMBL4472148 0.69 IDO1 (0.46) KDRMAPK1KITPDGFRBMAPT
SCHEMBL4479411 0.68 MAP3K11 (0.48) MAPK1PIK3CAKITCYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592365-B2 Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA S.A. (FR) 2009-09-22 US disclosed
EP-1851198-B1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA SA (FR) 2008-12-31 EP disclosed
US-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-07-10 US disclosed
EP-1851198-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-11-07 EP disclosed
WO-2006084996-A1 SUBSTITUTED PYRROLES, COMPOSITIONS CONTAINING SAME, METHOD FOR MAKING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-17 WO 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-20080167368-A1 Substituted Pyrroles, Compositions Containing Same, Method for Making Same and Use Thereof PRMT1, ADPRS, RRM2B KDR 2379/4885MAPK1 3253/4885PIK3CA 1479/4885

“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.