SCHEMBL3723657

SCHEMBL3723657

CN(C)Cc1cccc(-c2cncc(Br)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
CYP2A6 P11509 2/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
TAAR1 Q96RJ0 3/20 0.42
PRMT6 Q96LA8 2/20 0.40
EPHX2 P34913 1/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
S1PR1 P21453 1/20 0.39
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 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
SCHEMBL3666911 0.85 CYP2A6 (0.42) CYP2A6CHRNB2CHRNA4PRMT6CYP11B2
SCHEMBL13778325 0.83 HTR7 (0.46) HTR7CYP2A6CHRNB2CHRNA4TAAR1
SCHEMBL4159355 0.83 HRH3 (0.57) CYP2A6CHRNB2CHRNA4TAAR1PRMT6
SCHEMBL3669814 0.80 CDK8 (0.48) CYP2A6GABRG2GABRB3GABRA5GABRA3
SCHEMBL3670438 0.80 PRKCI (0.57) CYP2A6GABRG2GABRB3GABRA5GABRA3
SCHEMBL27808358 0.79 PRMT6 (0.40) CYP2A6PRMT6
SCHEMBL3665861 0.79 CYP4F2 (0.43) PRMT6CYP11B2CYP11B1ALDH1A1
SCHEMBL12576029 0.78 CYP2A6 (0.55) CYP2A6GABRA1GABRG2GABRB3GABRA5
SCHEMBL14908606 0.76 GABRG2 (0.49) CYP2A6GABRA1GABRG2GABRB3GABRA5
SCHEMBL16675071 0.76 CYP2A6 (0.53) CYP2A6GABRA1GABRG2GABRB3GABRA5

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 5 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
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN 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 HTR7 2324/4885CYP2A6 1045/4885CHRNB2 3774/4885

“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.