SCHEMBL4101044

SCHEMBL4101044

Cc1cccc(-c2ncnc3ccc(-c4ccc(F)cc4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 16/20 0.51
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CLK4 Q9HAZ1 1/20 0.42
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL4096108 0.88 MAP4K4 (0.51) MAP4K4MINK1TNIKMKNK2
SCHEMBL4106880 0.85 MAP4K4 (0.47) MAP4K4MINK1TNIKMKNK2
SCHEMBL4113754 0.85 MAP4K4 (0.47) MAP4K4MINK1TNIK
SCHEMBL4095649 0.84 MKNK2 (0.52) MAP4K4MINK1TNIKMKNK2
SCHEMBL4115100 0.84 MAP4K4 (0.52) MAP4K4MINK1TNIKMKNK2
SCHEMBL4105867 0.83 MKNK2 (0.51) MAP4K4MKNK2
SCHEMBL4108630 0.83 MAP4K4 (0.56) MAP4K4MINK1TNIK
SCHEMBL4106894 0.82 MAP4K4 (0.47) MAP4K4MINK1TNIKMKNK2
SCHEMBL4107112 0.82 MAP4K4 (0.50) MAP4K4MINK1TNIKMKNK2
SCHEMBL4101429 0.82 MAP4K4 (0.49) MAP4K4SMN1; SMN2MINK1TNIKMKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US claimed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed
US-8338435-B2 Substituted pyrido(3,2-D) pyrimidines and pharmaceutical compositions for treating viral infections GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2009-10-08 US disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 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-20090253696-A1 SUBSTITUTED PYRIDO(3,2-D) PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS PNPO, PNP, DPYD MAP4K4 2166/4885NPC1 1907/4885TP53 577/4885

“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.