SCHEMBL1925897

SCHEMBL1925897

NC(=O)c1[nH]ccc1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
MAPT P10636 4/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
GDA Q9Y2T3 1/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PARP1 P09874 1/20 0.35
BTK Q06187 1/20 0.35
ALPL P05186 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL1925378 0.85 MAPT (0.41) MAPTIKBKBCHUKCYP3A4ALDH1A1
SCHEMBL17604415 0.83 BCAT2 (0.50) CCNCCDK8MAPTIKBKBCHUK
SCHEMBL4472371 0.80 ALDH1A1 (0.39) MAPTCYP3A4ALDH1A1TP53
SCHEMBL1925356 0.78 TSHR (0.50) MAPTCYP3A4ALDH1A1TDP1PARP1
SCHEMBL27944239 0.75 BRD4 (0.39) CCNCCDK8IKBKBCHUKPARP1
SCHEMBL27944229 0.75 MAP2 (0.41) CCNCCDK8IKBKBCHUKMKNK1
SCHEMBL28202946 0.71 HPGDS (0.48) CCNCCDK8PARP1
SCHEMBL562266 0.71
SCHEMBL28860903 0.71 MAPK14 (0.50) MAPTCYP3A4ALDH1A1TP53TDP1
SCHEMBL1924002 0.70 MAP2 (0.40) CCNCCDK8IKBKBCHUKPARP1

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-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
US-7560571-B2 Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA S.A. (FR) 2009-07-14 US disclosed
CN-101133023-A Substituted pyrroles and imidazoles, compositions containing same, manufacturing process therefor and use thereof AVENTIS PHARMA SA (FR) 2008-02-27 CN disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
US-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-02-21 US disclosed
EP-1856043-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2007-11-21 EP disclosed
WO-2006082309-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2006-08-10 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-20080045542-A1 Substituted Pyrroles and Imidazoles, Compositions Containing Same, Manufacturing Process Therefor and Use Thereof WEE1, WEE2, FARS2 CCNC 1401/4885CDK8 219/4885MAPT 1988/4885

“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.