SCHEMBL7586428

SCHEMBL7586428

N#Cc1c(C#N)c2ccccn2c1-c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.57
RAD51 Q06609 1/20 0.49
ADORA2A P29274 3/20 0.46
ADORA1 P30542 3/20 0.46
CYP11B1 P15538 1/20 0.45
MAOA P21397 1/20 0.45
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
GLA P06280 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA2B P29275 1/20 0.43
IKBKB O14920 1/20 0.42
LCK P06239 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL7590158 0.87 CYP11B2 (0.56) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL7585453 0.87 CYP11B2 (0.53) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL7589148 0.82 CYP11B2 (0.48) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL30175330 0.74 CYP11B2 (0.51) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL7586432 0.74 CYP11B2 (0.45) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL27981514 0.72 CYP11B2 (0.71) CYP11B2ADORA2AADORA1CYP11B1MAOA
SCHEMBL1605013 0.72 CYP11B2 (1.00) CYP11B2ADORA2AADORA1CYP11B1MAOA
SCHEMBL7852612 0.72 ALDH1A1 (0.46) CYP11B2RAD51ADORA2AADORA1CYP11B1
SCHEMBL7588953 0.71 CYP11B2 (0.58) CYP11B2ADORA2AADORA1CYP11B1MAOA
SCHEMBL28475062 0.70 CASP1 (0.43) CYP11B2RAD51CYP11B1KDM4EGAA

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 139/4885RAD51 3727/4885ADORA2A 2973/4885

“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.