SCHEMBL7586432

SCHEMBL7586432

N#Cc1cc(-c2cccnc2)n2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.45
RAD51 Q06609 2/20 0.44
KDR P35968 1/20 0.43
CYP11B1 P15538 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 1/20 0.41
CYP17A1 P05093 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
CASP1 P29466 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CASP7 P55210 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
IKBKB O14920 1/20 0.38
MAOA P21397 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL27767828 0.84 MAOA (0.46) ALDH1A1HSD17B10KDM4EGLAGAA
SCHEMBL28475062 0.82 CASP1 (0.43) CYP11B2RAD51CYP11B1CYP17A1SLC22A12
SCHEMBL7852612 0.76 ALDH1A1 (0.46) CYP11B2RAD51KDRCYP11B1ALDH1A1
SCHEMBL10123878 0.75 SLC22A12 (0.38) ALDH1A1SLC22A12KDM4EGLAGAA
SCHEMBL7586428 0.74 CYP11B2 (0.57) CYP11B2RAD51CYP11B1ALDH1A1CYP2A6
SCHEMBL7590161 0.73 ALDH1A1 (0.38) CYP11B2ALDH1A1SLC22A12KDM4EGLA
SCHEMBL7587040 0.73 MKNK1 (0.58) RAD51KDR
SCHEMBL7585453 0.71 CYP11B2 (0.53) CYP11B2RAD51CYP11B1ALDH1A1HSD17B10
SCHEMBL7590158 0.71 CYP11B2 (0.56) CYP11B2RAD51CYP11B1ALDH1A1HSD17B10
SCHEMBL10123867 0.70 EGLN1 (0.38) SLC22A12

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 3727/4885KDR 489/4885

“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.