SCHEMBL4517256

SCHEMBL4517256

CCOc1nc(N)nc2ccc(-c3ccc(C(F)(F)F)cc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HEXA P06865 1/20 0.42
HEXB P07686 1/20 0.42
MPO P05164 1/20 0.42
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 1/20 0.40
TOP1 P11387 2/20 0.39
PARP1 P09874 1/20 0.37
LTA4H P09960 1/20 0.37
TRPV3 Q8NET8 4/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
DHFR P00374 1/20 0.35
LCK P06239 1/20 0.35
KIT P10721 1/20 0.35
SRC P12931 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4522359 0.89 MPO (0.37) HEXAHEXBMPOTLR8TLR7
SCHEMBL4521271 0.87 MPO (0.40) HEXAHEXBMPOTLR8TLR7
SCHEMBL4532151 0.86 MAP4K4 (0.44) TLR8TLR7ALDH1A1KDM4E
SCHEMBL4122428 0.86 MPO (0.39) MPOTLR8TLR7NPC1ALDH1A1
SCHEMBL823714 0.86 MAPT (0.40) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4526926 0.85 ALDH1A1 (0.43) NPC1ALDH1A1MAPK1RAB9ADHFR
SCHEMBL4513221 0.85 RXFP1 (0.43) HEXAHEXBMPONPC1ALDH1A1
SCHEMBL4529751 0.84 MAP4K4 (0.44) HEXAHEXBNPC1ALDH1A1MAPK1
SCHEMBL4533861 0.84 PIK3CG (0.43) LTA4HNPC1ALDH1A1MAPK1RAB9A
SCHEMBL4525197 0.83 ALDH1A1 (0.52) TLR8NPC1ALDH1A1MAPK1RAB9A

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 HEXA 613/4885HEXB 385/4885MPO 3990/4885

“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.