SCHEMBL3666546

SCHEMBL3666546

OCCNCc1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.48
EPHX2 P34913 1/20 0.48
VSIR Q9H7M9 10/20 0.46
SCN8A Q9UQD0 1/20 0.43
CD274 Q9NZQ7 5/20 0.42
PDCD1 Q15116 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
BACE1 P56817 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
SCHEMBL3664072 0.92 SCN8A (0.46) PRMT6EPHX2VSIRSCN8ACD274
SCHEMBL3663779 0.85 FFAR1 (0.42) PRMT6EPHX2VSIRSCN8ACD274
SCHEMBL3666063 0.83 SMN1; SMN2 (0.51) VSIRCD274PDCD1SMN1; SMN2
SCHEMBL3666969 0.82 VSIR (0.43) PRMT6EPHX2VSIRSCN8ACD274
SCHEMBL3724194 0.82 PRMT6 (0.66) PRMT6EPHX2SCN8ABACE1
SCHEMBL3666218 0.82 PRKCI (0.56) PRMT6EPHX2
SCHEMBL4152914 0.79 PRMT6 (0.43) PRMT6EPHX2VSIRSCN8ACD274
SCHEMBL13778409 0.77 SCN8A (0.49) PRMT6EPHX2VSIRSCN8ACD274
SCHEMBL29142174 0.77 CHRM2 (0.38) SCN8ACD274PDCD1SMN1; SMN2
SCHEMBL3667002 0.76 CYP2A6 (0.44) PRMT6EPHX2

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 6 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

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 PRMT6 1956/4885EPHX2 3222/4885VSIR 3811/4885

“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.