SCHEMBL4527421

SCHEMBL4527421

CCOc1nc(N)nc2ccc(-c3ccc(C(F)(F)F)cc3Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MPO P05164 1/20 0.39
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
ATM Q13315 1/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
CYP3A4 P08684 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 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
SCHEMBL4534902 0.93 CTSS (0.41) MAPTKDM4ETDP1MPOCYP2C19
SCHEMBL4536715 0.89 TRPV3 (0.38) MAPTMPOL3MBTL1LMNAATM
SCHEMBL4519931 0.85 MAPT (0.42) MAPTKDM4ETDP1MPOL3MBTL1
SCHEMBL4524543 0.85 MAPT (0.55) MAPTKDM4ETDP1L3MBTL1GAA
SCHEMBL3761085 0.84 MPO (0.43) MAPTKDM4ETDP1MPOCYP2C19
SCHEMBL4517256 0.83 HEXA (0.42) KDM4EMPOTLR8TLR7
SCHEMBL4522359 0.82 MPO (0.37) MAPTMPOL3MBTL1LMNAATM
SCHEMBL4522776 0.82 L3MBTL1 (0.54) MAPTKDM4ETDP1MPOL3MBTL1
SCHEMBL4532151 0.81 MAP4K4 (0.44) KDM4ECYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL11911418 0.80 KDM4E (0.46) MAPTKDM4ETDP1L3MBTL1GAA

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 MAPT 2859/4885KDM4E 3685/4885TDP1 1136/4885

“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.