SCHEMBL4475436

SCHEMBL4475436

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3A P49840 2/20 0.36
KDR P35968 1/20 0.36
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
CDK2 P24941 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL4486233 0.83 PKM (0.37) ALDH1A1KDRCDK8CDK5DYRK1A
SCHEMBL4481644 0.82 KDR (0.43) GSK3BGSK3AKDRCDK8MAPT
SCHEMBL4481101 0.82 ALDH1A1 (0.46) CYP1A2TP53ALDH1A1MEN1KMT2A
SCHEMBL4485740 0.75 CAMKK2 (0.35) GSK3BGSK3AKDRCDC7DAPK3
SCHEMBL4477424 0.75 RIPK1 (0.51) GSK3BGSK3AKDRDAPK3ROCK2
SCHEMBL4471715 0.69 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL4479411 0.68 MAP3K11 (0.48) ALDH1A1ROCK2CDK5DYRK1ALRRK2
SCHEMBL4470289 0.68 POLB (0.43) GSK3BCYP1A2ALDH1A1MEN1POLB
SCHEMBL1709756 0.68 TP53 (0.72) TP53ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4491792 0.68 MEN1 (0.57) MEN1POLBKMT2AKDRROCK2

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 GSK3B 4092/4885CYP1A2 1308/4885TP53 22/4885

“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.