SCHEMBL4573181

SCHEMBL4573181

CCCNc1nc(OCC)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.37
MAP4K4 O95819 1/20 0.36
MAPK14 Q16539 3/20 0.36
CHRNA7 P36544 3/20 0.36
KCNH3 Q9ULD8 1/20 0.36
PTGS2 P35354 1/20 0.35
CNR2 P34972 2/20 0.35
SCN9A Q15858 3/20 0.35
MAPK10 P53779 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CTNNB1 P35222 2/20 0.33
TCF7L2 Q9NQB0 2/20 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
SCHEMBL4573278 0.91 MAP4K4 (0.42) MAP4K4
SCHEMBL5123059 0.90 KCNH3 (0.46) MAP4K4MAPK14KCNH3CNR2
SCHEMBL4573310 0.89 MAP4K4 (0.36) MAP4K4MAPK14CNR2SCN9ATLR8
SCHEMBL5123850 0.88 MAPT (0.43) MAPK14KCNH3PTGS2
SCHEMBL5108425 0.87 ACP1 (0.43) CNR2
SCHEMBL5112172 0.86 MAPT (0.35) MAP4K4PTGS2
SCHEMBL5111494 0.86 CA9 (0.35) MAP4K4PTGS2CNR2SCN9A
SCHEMBL5115353 0.85 MAP4K4 (0.40) MAP4K4MAPK14PTGS2
SCHEMBL4573442 0.85 TP53 (0.47) MAPK14KCNH3PTGS2
SCHEMBL5116366 0.84 MAP4K4 (0.36) MAP4K4MAPK14PTGS2CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-8729089-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2014-05-20 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
US-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-31 US disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO disclosed
WO-2008077651-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-07-03 WO 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-20080182870-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PNP MERTK 2669/4885MAP4K4 1899/4885MAPK14 3800/4885

“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.