SCHEMBL4522359

SCHEMBL4522359

CCOc1nc(N)nc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.37
MAP4K4 O95819 4/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 2/20 0.35
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL4532151 0.90 MAP4K4 (0.44) MAP4K4ALDH1A1KDM1ATLR8TLR7
SCHEMBL4517256 0.89 HEXA (0.42) MPONPC1ALDH1A1MAPK1RAB9A
SCHEMBL4537635 0.84 MAP4K4 (0.46) MAP4K4
SCHEMBL4526022 0.83 DHFR (0.40) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4533771 0.83 MAP4K4 (0.39) MPOMAP4K4NPC1ALDH1A1MAPK1
SCHEMBL4527421 0.82 MAPT (0.40) MPOTLR8TLR7LMNAMAPT
SCHEMBL4536715 0.82 TRPV3 (0.38) MPOTLR8TLR7TRPV3LMNA
SCHEMBL4528297 0.81 MAP4K4 (0.49) MAP4K4NPC1ALDH1A1MAPK1RAB9A
SCHEMBL4525998 0.81 CTSS (0.41) MAP4K4CTSSCTSK
SCHEMBL4534902 0.81 CTSS (0.41) MPOKDM1ATLR8TLR7CTSS

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 MPO 3990/4885MAP4K4 3289/4885NPC1 1302/4885

“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.