SCHEMBL4524970

SCHEMBL4524970

CCOc1nc(N)nc2ccc(-c3ccc(F)c(F)c3F)nc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN2B Q13224 1/20 0.34
TGFBR1 P36897 1/20 0.33
DHFR P00374 7/20 0.32
MAP4K4 O95819 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MPO P05164 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL4533730 0.89 DHFR (0.35) PDCD1LG2CD274TGFBR1DHFRMAP4K4
SCHEMBL4523975 0.84 MAPT (0.37) KDM4EMAPTTDP1DHFRMAP4K4
SCHEMBL4530939 0.84 HSP90AA1 (0.35) KDM4EMAPTTDP1GRIN2BDHFR
SCHEMBL4528709 0.84 ADORA2A (0.41) KDM4ETGFBR1DHFRRXFP1MPO
SCHEMBL3755716 0.82 NOS1 (0.40) GRIN2BMPO
SCHEMBL4526022 0.81 DHFR (0.40) TRPV3DHFRMAP4K4NPC1ALDH1A1
SCHEMBL4525891 0.81 TLR8 (0.40) KDM4EMAPTTDP1DHFRMAP4K4
SCHEMBL4519931 0.81 MAPT (0.42) KDM4EMAPTTDP1DHFRMAP4K4
SCHEMBL4524543 0.81 MAPT (0.55) KDM4EMAPTTDP1DHFRMAP4K4
SCHEMBL4526798 0.81 MAP4K4 (0.41) TRPV3DHFRMAP4K4NPC1ALDH1A1

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 2 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

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 TRPV3 4334/4885PDCD1LG2 1271/4885CD274 2089/4885

“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.