SCHEMBL3663779

SCHEMBL3663779

O=C(O)CCNCc1cccc(-c2c[c]cnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PRMT6 Q96LA8 2/20 0.41
EPHX2 P34913 1/20 0.41
SCN8A Q9UQD0 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ENPP2 Q13822 1/20 0.39
FOLH1 Q04609 2/20 0.38
AOC3 Q16853 2/20 0.38
ALDH1A1 P00352 1/20 0.38
VSIR Q9H7M9 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
S1PR1 P21453 2/20 0.36
HDAC1 Q13547 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 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
SCHEMBL3666969 0.90 VSIR (0.43) FFAR1FFAR4PRMT6EPHX2SCN8A
SCHEMBL3662196 0.85 S1PR1 (0.44) FFAR1FFAR4ALDH1A1S1PR1HDAC1
SCHEMBL3666546 0.85 PRMT6 (0.48) PRMT6EPHX2SCN8AVSIRPDCD1
SCHEMBL3724410 0.84 FFAR1 (0.48) FFAR1FFAR4
SCHEMBL3664072 0.83 SCN8A (0.46) PRMT6EPHX2SCN8AVSIRPDCD1
SCHEMBL3730365 0.81 GRIN2D (0.47) PRMT6EPHX2ENPP2
SCHEMBL4152914 0.80 PRMT6 (0.43) PRMT6EPHX2SCN8AKDM4CAOC3
SCHEMBL4173616 0.79 PRMT6 (0.42) FFAR1PRMT6KDM4CAOC3HDAC1
SCHEMBL3724194 0.78 PRMT6 (0.66) PRMT6EPHX2SCN8AKDM4C
SCHEMBL21205947 0.77 GRIA2 (0.54) FFAR1FFAR4ENPP2FOLH1AOC3

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
CN-101970435-B Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG 2014-07-02 CN 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 FFAR1 222/4885FFAR4 35/4885PRMT6 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.