SCHEMBL4523975

SCHEMBL4523975

CCOc1nc(N)nc2ccc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMO O15229 1/20 0.36
DHFR P00374 3/20 0.36
DCPS Q96C86 1/20 0.36
DPP4 P27487 1/20 0.36
KCNH2 Q12809 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
MPO P05164 2/20 0.34
AMY1A P0DUB6 1/20 0.34
CHRNA7 P36544 1/20 0.34
MAP4K4 O95819 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH4 Q9H3N8 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
SCHEMBL4530939 0.91 HSP90AA1 (0.35) MAPTNPC1RAB9ADHFRDCPS
SCHEMBL4525891 0.89 TLR8 (0.40) MAPTDHFRKCNH2MPOMAP4K4
SCHEMBL4519931 0.89 MAPT (0.42) MAPTDHFRDPP4KCNH2MPO
SCHEMBL4526596 0.87 PIK3CA (0.38) KMODHFRDCPSDPP4HDAC1
SCHEMBL4528709 0.85 ADORA2A (0.41) NPC1RAB9ADHFRADORA2AADORA1
SCHEMBL4534037 0.85 AMY1A (0.38) DHFRADORA2AAMY1ACHRNA7
SCHEMBL4524970 0.84 TRPV3 (0.35) MAPTNPC1RAB9ADHFRMPO
SCHEMBL4122428 0.83 MPO (0.39) MAPTNPC1RAB9ADHFRADORA2A
SCHEMBL3765540 0.82 MPO (0.38) MAPTNPC1RAB9ADHFRMPO
SCHEMBL4537635 0.81 MAP4K4 (0.46) MAP4K4

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 6 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-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
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 MAPT 2859/4885NPC1 1302/4885RAB9A 3771/4885

“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.