SCHEMBL3663742

SCHEMBL3663742

CNCc1ccc(-c2c[c]cnc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
NOS1 P29475 4/20 0.41
NOS3 P29474 3/20 0.41
PRMT6 Q96LA8 2/20 0.41
EPHX2 P34913 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT2 P31751 1/20 0.36
CHEK1 O14757 1/20 0.35
NCF1 P14598 1/20 0.35
NOS2 P35228 1/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 2/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33

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
SCHEMBL4160230 0.81 PRMT6 (0.43) NOS1NOS3PRMT6EPHX2NOS2
SCHEMBL3724194 0.81 PRMT6 (0.66) NOS1NOS3PRMT6EPHX2KDM4E
SCHEMBL3666063 0.80 SMN1; SMN2 (0.51) CHEK1HRH4HRH3MKNK1MKNK2
SCHEMBL3668596 0.79 CYP2A6 (0.53) ADRB2LOXL2AKT2CYP2A6HRH3
SCHEMBL3662222 0.79 MKNK1 (0.53) CHEK1CYP2A6MKNK1MKNK2
SCHEMBL2237727 0.78 ADRB2 (0.47) ADRB2NOS1NOS3PRMT6EPHX2
SCHEMBL3668815 0.78 HRH3 (0.57) HRH4HRH3
SCHEMBL3668234 0.77 FFAR1 (0.37)
SCHEMBL3667596 0.77 MEN1 (0.43) KDM4EHRH4HRH3
SCHEMBL4167973 0.77 PPID (0.38) KDM4E

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 ADRB2 1587/4885NOS1 3189/4885NOS3 2980/4885

“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.