SCHEMBL3725925

SCHEMBL3725925

CN1CCN(Cc2cccc(-c3c[c]cnc3)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.47
KDR P35968 2/20 0.46
AOC3 Q16853 1/20 0.45
NMT1 P30419 4/20 0.45
CHRM3 P20309 2/20 0.44
PARP1 P09874 1/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
CHKA P35790 1/20 0.42
MELK Q14680 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
SCHEMBL3727666 0.87 KDM4E (0.48) MC4RPARP1DRD2DRD4DRD3
SCHEMBL4158163 0.85 PSMB8 (0.50) KDRPARP1DRD2DRD4DRD3
SCHEMBL3733653 0.84 CHKA (0.57) MC4RCHKA
SCHEMBL3133589 0.82 MC4R (0.51) MC4RKDRNMT1CHRM3PARP1
SCHEMBL11992810 0.80 NMT1 (0.49) MC4RKDRAOC3NMT1CHRM3
SCHEMBL3146310 0.79 MC4R (0.54) MC4RKDRNMT1CHRM3DRD2
SCHEMBL3665735 0.79 NMT1 (0.48) MC4RKDRAOC3NMT1CHRM3
SCHEMBL21495134 0.78 MC4R (0.71) MC4RKDRNMT1CHRM3DRD2
SCHEMBL3667382 0.76 HTR7 (0.43) AOC3NMT1PARP1
SCHEMBL24061116 0.76 MC4R (0.57) MC4RKDRNMT1CHRM3DRD2

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 10 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
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US 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 MC4R 303/4885KDR 124/4885AOC3 3251/4885

“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.