SCHEMBL3667002

SCHEMBL3667002

NCc1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
CDK8 P49336 1/20 0.43
PRMT6 Q96LA8 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.42
EPHX2 P34913 1/20 0.42
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PNMT P11086 1/20 0.38
ENPP2 Q13822 1/20 0.38
TAAR1 Q96RJ0 3/20 0.38
CFD P00746 2/20 0.38
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
PRKCI P41743 1/20 0.37
ABL1 P00519 1/20 0.36
KARS1 Q15046 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL3666218 0.84 PRKCI (0.56) CDK8PRMT6EPHX2FGFR1PRKCI
SCHEMBL3668596 0.83 CYP2A6 (0.53) CYP2A6LOXL2TAAR1
SCHEMBL3724194 0.81 PRMT6 (0.66) CYP2A6PRMT6EPHX2NOS3NOS1
SCHEMBL3667382 0.80 HTR7 (0.43) CYP2A6PRMT6EPHX2NOS1TAAR1
SCHEMBL3730365 0.79 GRIN2D (0.47) PRMT6EPHX2ENPP2
SCHEMBL20797575 0.78 CYP2A6 (0.50) CYP2A6CDK8PRMT6LOXL2EPHX2
SCHEMBL3724410 0.77 FFAR1 (0.48)
SCHEMBL3791745 0.76 LOXL2 (0.60) CDK8PRMT6LOXL2NOS3NOS1
SCHEMBL29809603 0.76 CYP2A6 (0.73) CYP2A6CDK8PRMT6LOXL2EPHX2
SCHEMBL3130990 0.76 PNMT (0.42) CDK8PRMT6LOXL2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US claimed
CN-101970435-A Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2011-02-09 CN claimed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US claimed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 WO claimed
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN disclosed
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 CYP2A6 1045/4885CDK8 844/4885PRMT6 1956/4885

“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.