SCHEMBL3731010

SCHEMBL3731010

CCOC(=O)C=Cc1c(Br)cncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CNKSR1 Q969H4 1/20 0.46
CYP3A4 P08684 1/20 0.46
TTR P02766 1/20 0.44
DPP4 P27487 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
MAOB P27338 1/20 0.40
PTGS2 P35354 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3731005 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5516137 0.84 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5516140 0.84 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL27380322 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL30701968 0.81 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL20315387 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL6136880 0.79 MAOB (0.52) CA12CA1CA2CA7CA9
SCHEMBL6136878 0.79 MAOB (0.52) CA12CA1CA2CA7CA9
SCHEMBL18260220 0.79 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18272368 0.79 CA12 (0.51) CA12CA1CA2CA7CA9

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 CA12 4506/4885CA1 4127/4885CA2 1522/4885

“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.