SCHEMBL7585453

SCHEMBL7585453

N#Cc1c(Cl)c(-c2cccnc2)n2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.53
CYP11B1 P15538 1/20 0.48
MAOA P21397 1/20 0.48
KMT2A Q03164 1/20 0.46
RAD51 Q06609 1/20 0.46
ADORA2A P29274 4/20 0.43
ADORA1 P30542 3/20 0.43
NRP1 O14786 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
ADORA2B P29275 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
IKBKB O14920 1/20 0.40
LCK P06239 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL7586428 0.87 CYP11B2 (0.57) CYP11B2CYP11B1MAOAKMT2ARAD51
SCHEMBL7588953 0.84 CYP11B2 (0.58) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL7590158 0.84 CYP11B2 (0.56) CYP11B2CYP11B1MAOARAD51ADORA2A
SCHEMBL7586967 0.82 KDM4E (0.39) CYP11B2CYP11B1MAOAKMT2AKDM4E
SCHEMBL7589148 0.76 CYP11B2 (0.48) CYP11B2CYP11B1MAOARAD51ADORA2A
SCHEMBL7587012 0.75 MKNK1 (0.46) CYP11B2CYP11B1KMT2ARAD51KDM4E
SCHEMBL30175330 0.71 CYP11B2 (0.51) CYP11B2CYP11B1MAOAKMT2ARAD51
SCHEMBL7586432 0.71 CYP11B2 (0.45) CYP11B2CYP11B1MAOARAD51ADORA2A
SCHEMBL27981514 0.69 CYP11B2 (0.71) CYP11B2CYP11B1MAOAKMT2AADORA2A
SCHEMBL1605013 0.69 CYP11B2 (1.00) CYP11B2CYP11B1MAOAKMT2AADORA2A

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US claimed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP claimed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 WO claimed
US-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 CYP11B2 139/4885CYP11B1 130/4885MAOA 2075/4885

“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.