SCHEMBL3667115

SCHEMBL3667115

COC(=O)Cc1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
SYK P43405 1/20 0.45
SLC7A5 Q01650 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CASP3 P42574 2/20 0.42
CFD P00746 1/20 0.41
DGAT2 Q96PD7 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
SCHEMBL3721345 0.85 CYP11B1 (0.42) CYP11B1CYP11B2KDM4ECYP4F2CYP4A11
SCHEMBL3669289 0.85 CYP11B1 (0.54) CYP11B1CYP11B2ALDH1A1NPC1KDM4E
SCHEMBL3670334 0.83 CASP3 (0.48) CYP11B1CYP11B2KDM4ESMN1; SMN2CASP3
SCHEMBL3665861 0.83 CYP4F2 (0.43) CYP11B1CYP11B2ALDH1A1CYP4F2CYP4A11
SCHEMBL3933089 0.82 ALDH1A1 (0.60) CYP11B1CYP11B2ALDH1A1NPC1KDM4E
SCHEMBL12730537 0.81 CYP4F2 (0.47) CYP11B1CYP11B2ALDH1A1NPC1KDM4E
SCHEMBL17427970 0.80 CYP11B1 (0.62) CYP11B1CYP11B2ALDH1A1NPC1KDM4E
SCHEMBL3930520 0.79 PRKCI (0.57) CYP11B1CYP11B2ALDH1A1NPC1KDM4E
SCHEMBL30646797 0.79 CYP11B1 (0.75) CYP11B1CYP11B2SMN1; SMN2DGAT2
SCHEMBL26970075 0.79 CYP11B1 (0.75) CYP11B1CYP11B2SMN1; SMN2DGAT2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 CYP11B1 1713/4885CYP11B2 1994/4885ALDH1A1 889/4885

“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.