SCHEMBL4486233

SCHEMBL4486233

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDR P35968 3/20 0.37
NTRK1 P04629 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PDGFRB P09619 1/20 0.35
HPGD P15428 1/20 0.35
CLK1 P49759 5/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CAMKK2 Q96RR4 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
SCHEMBL4472494 0.85 ALDH1A1 (0.38) KDRCYP3A4ALDH1A1PDGFRBHPGD
SCHEMBL4479411 0.84 MAP3K11 (0.48) NTRK1CYP3A4ALDH1A1CLK1DYRK1A
SCHEMBL4490967 0.83 NPC1 (0.54) KDRNTRK1CYP3A4ALDH1A1PDGFRB
SCHEMBL4481644 0.83 KDR (0.43) KDRCYP3A4PDGFRBMAPTRAB9A
SCHEMBL4482796 0.83 KDR (0.53) KDRALDH1A1PDGFRBSMN1; SMN2RAB9A
SCHEMBL4470895 0.83 DYRK1A (0.48) CYP3A4ALDH1A1HPGDDYRK1ADYRK1B
SCHEMBL4475436 0.83 GSK3B (0.46) KDRALDH1A1HPGDDYRK1ADYRK1B
SCHEMBL4491792 0.82 MEN1 (0.57) PKMKDRPDGFRBMAPTRAB9A
SCHEMBL4472148 0.82 IDO1 (0.46) KDRALDH1A1PDGFRBHTTSMN1; SMN2
SCHEMBL4485740 0.80 CAMKK2 (0.35) KDRNTRK1CYP3A4CLK1DYRK1A

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 6 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
CN-101115716-A Substituted pyrroles, compositions containing same, method for making same and use thereof AVENTIS PHARMA SA (FR) 2008-01-30 CN 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 PKM 2760/4885CYP2C19 2642/4885KDR 2379/4885

“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.