SCHEMBL13778409

SCHEMBL13778409

Cc1cncc(-c2cccc(CNCCO)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.49
EPHX2 P34913 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
PDCD1 Q15116 8/20 0.48
CD274 Q9NZQ7 8/20 0.48
VSIR Q9H7M9 9/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL13778412 0.85 CD274 (0.52) PDCD1CD274VSIRNOS3NOS1
SCHEMBL13778407 0.82 VSIR (0.49) SCN8AEPHX2PRMT6PDCD1CD274
SCHEMBL13778320 0.81 PRMT6 (0.68) SCN8AEPHX2PRMT6NOS3NOS1
SCHEMBL13778363 0.81 PRKCI (0.57) EPHX2PRMT6NOS3NOS1
SCHEMBL13778408 0.80 SCN8A (0.43) SCN8AEPHX2PRMT6PDCD1CD274
SCHEMBL3666546 0.77 PRMT6 (0.48) SCN8AEPHX2PRMT6PDCD1CD274
SCHEMBL13778418 0.77 HRH4 (0.46) SCN8APDCD1CD274NOS3NOS1
SCHEMBL14492270 0.76 PDCD1 (0.54) PDCD1CD274VSIR
SCHEMBL13778347 0.75 CDK8 (0.48) EPHX2PRMT6NOS3NOS1
SCHEMBL13778428 0.75 PRMT6 (0.44) PRMT6PDCD1CD274

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
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US 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 SCN8A 1735/4885EPHX2 3222/4885PRMT6 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.