SCHEMBL3669289

SCHEMBL3669289

COC(=O)Cc1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 4/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HDAC1 Q13547 2/20 0.43
KDM1A O60341 1/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL3664657 0.86 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL3667115 0.85 CYP11B1 (0.54) CYP11B1CYP11B2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL3721196 0.84 HDAC1 (0.45) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL3671038 0.82 CYP11B1 (0.40) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL746604 0.82 CYP11B1 (0.51) CYP11B1CYP11B2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL5536942 0.81 CYP4F2 (0.58) CYP4F2CYP4A11SMN1; SMN2HTTNPC1
Hydrochloric Acid SCHEMBL17396793 0.80 CYP11B1 (0.50) CYP11B1CYP11B2CYP4F2CYP4A11SMN1; SMN2
SCHEMBL10639623 0.79 MAPT (0.49) CYP4F2CYP4A11SMN1; SMN2MAPTHTT
SCHEMBL4167270 0.79 CYP11B1 (0.37) CYP11B1CYP11B2SMN1; SMN2MAPTHTT
SCHEMBL29254935 0.78 CYP11B1 (0.66) CYP11B1CYP11B2CYP4F2CYP4A11NPC1

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 1994/4885CYP4F2 179/4885

“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.