SCHEMBL4536715

SCHEMBL4536715

CCOc1nc(N)nc2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 3/20 0.38
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
MPO P05164 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
PTPN1 P18031 2/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
BACE1 P56817 1/20 0.33
CDK1 P06493 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL4527421 0.89 MAPT (0.40) ALOX5APFEN1MPOLMNAMAPT
SCHEMBL4534902 0.86 CTSS (0.41) MPOLMNAMAPTATML3MBTL1
SCHEMBL4524229 0.85 PTPN1 (0.48) L3MBTL1TLR8TLR7PTPN1BACE1
SCHEMBL3765511 0.84 ALOX5AP (0.40) TRPV3ALOX5APFEN1MPOLMNA
SCHEMBL4517256 0.83 HEXA (0.42) TRPV3MPOTLR8TLR7DHFR
SCHEMBL4522359 0.82 MPO (0.37) TRPV3MPOLMNAMAPTATM
SCHEMBL4532151 0.81 MAP4K4 (0.44) TLR8TLR7
SCHEMBL4525998 0.77 CTSS (0.41) CDK1
SCHEMBL4523975 0.77 MAPT (0.37) MPOMAPTKCNH2DHFR
SCHEMBL4525891 0.76 TLR8 (0.40) MPOMAPTTLR8KCNH2DHFR

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 4334/4885ALOX5AP 729/4885FEN1 1265/4885

“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.