SCHEMBL4529671

SCHEMBL4529671

COCCOc1nc(N)nc2ccc(-c3ccc(S(C)(=O)=O)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
DHFR P00374 2/20 0.41
ATR Q13535 7/20 0.39
GHSR Q92847 1/20 0.37
PRKDC P78527 2/20 0.36
ATM Q13315 2/20 0.36
PTGS1 P23219 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4533754 0.88 MAPK10 (0.40) DHFRATR
SCHEMBL4524117 0.87 PTGS2 (0.43) PTGS2DHFRATRPRKDCATM
SCHEMBL4516860 0.86 MAPT (0.41) TSHR
SCHEMBL4535000 0.85 S1PR1 (0.35) ATRGHSRTSHR
SCHEMBL4527664 0.85 TSHR (0.42) DHFRTSHR
SCHEMBL4520304 0.84 MAP4K4 (0.41) DHFRTSHRKCNH2
SCHEMBL3613491 0.84 SQOR (0.45) DHFRTSHR
SCHEMBL4519618 0.84 PIK3CG (0.40) DHFRTSHR
SCHEMBL4534010 0.83 TSHR (0.46) TSHR
SCHEMBL4528643 0.82 TSHR (0.39) TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US claimed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US claimed
US-8232278-B2 Pyrido(3,2-D)pyrimidines and pharmaceutical compositions useful for treating hepatitis C GILEAD SCIENCES, INC. (US) 2012-07-31 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US 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-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO PTGS2 1021/4885DHFR 13/4885ATR 3239/4885

“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.