SCHEMBL4526596

SCHEMBL4526596

COCCOc1nc(N)nc2ccc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.38
SQOR Q9Y6N5 1/20 0.38
MERTK Q12866 3/20 0.37
MET P08581 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
MAP4K4 O95819 2/20 0.36
TSHR P16473 1/20 0.35
MIF P14174 2/20 0.35
KMO O15229 1/20 0.34
AMY1A P0DUB6 1/20 0.34
DHFR P00374 1/20 0.34
DCPS Q96C86 1/20 0.34
CHRNA7 P36544 1/20 0.34
DPP4 P27487 1/20 0.34
UTRN P46939 1/20 0.34
KIT P10721 1/20 0.34
AXL P30530 1/20 0.33

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
SCHEMBL4523975 0.87 MAPT (0.37) HDAC1HDAC2MAP4K4KMOAMY1A
SCHEMBL3613491 0.84 SQOR (0.45) PIK3CASQORMAP4K4TSHRMIF
SCHEMBL4526302 0.81 MAP4K4 (0.39) PIK3CASQORMAP4K4TSHRKMO
SCHEMBL4527647 0.81 SQOR (0.43) PIK3CASQORMAP4K4TSHRMIF
SCHEMBL4533791 0.78 MAP4K4 (0.42) PIK3CASQORMERTKMETMAP4K4
SCHEMBL4520221 0.78 MAP4K4 (0.40) PIK3CASQORMAP4K4TSHRKMO
SCHEMBL4526538 0.78 ALDH1A1 (0.46) METMAP4K4
SCHEMBL4530939 0.78 HSP90AA1 (0.35) MAP4K4TSHRDHFRDCPS
SCHEMBL4525891 0.77 TLR8 (0.40) MAP4K4TSHRDHFR
SCHEMBL4532161 0.77 TSHR (0.42) TSHRDHFRDPP4

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 PIK3CA 609/4885SQOR 823/4885MERTK 1688/4885

“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.