SCHEMBL7590158

SCHEMBL7590158

Cc1c(C#N)c2ccccn2c1-c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.56
KDM4E B2RXH2 3/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.46
RAD51 Q06609 1/20 0.46
CYP11B1 P15538 1/20 0.45
MAOA P21397 1/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
DYRK1A Q13627 2/20 0.44
ADORA1 P30542 3/20 0.43
ADORA2A P29274 3/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXAS1 P24557 3/20 0.41
ADORA2B P29275 1/20 0.40

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) CYP11B2KDM4EHTTRAD51CYP11B1
SCHEMBL7585453 0.84 CYP11B2 (0.53) CYP11B2KDM4EHSD17B10HTTRAD51
SCHEMBL7855338 0.76 CYP11B2 (0.48) CYP11B2KDM4ERAD51CYP11B1ALDH1A1
SCHEMBL7589148 0.76 CYP11B2 (0.48) CYP11B2KDM4ERAD51CYP11B1MAOA
SCHEMBL7584938 0.75 CYP11B2 (0.47) CYP11B2RAD51CYP11B1TBXAS1
SCHEMBL7586850 0.74 MAPT (0.52) CYP11B2KDM4ECYP11B1ALDH1A1MAPK1
Methane SCHEMBL7588227 0.73 MAPT (0.51) CYP11B2KDM4ECYP11B1ALDH1A1MAPK1
SCHEMBL1605013 0.72 CYP11B2 (1.00) CYP11B2CYP11B1MAOAALDH1A1RXFP1
SCHEMBL30175330 0.71 CYP11B2 (0.51) CYP11B2KDM4EHSD17B10HTTRAD51
SCHEMBL7586432 0.71 CYP11B2 (0.45) CYP11B2KDM4EHSD17B10RAD51CYP11B1

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 3 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 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 139/4885KDM4E 710/4885HSD17B10 569/4885

“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.