SCHEMBL4097690

SCHEMBL4097690

Cc1ccccc1Cc1ncnc2ccc(-c3ccc(F)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 14/20 0.44
MKNK2 Q9HBH9 3/20 0.39
LTA4H P09960 1/20 0.38
MKNK1 Q9BUB5 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
TNIK Q9UKE5 1/20 0.35

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
SCHEMBL4095287 0.88 MAP4K4 (0.43) MAP4K4MKNK2MKNK1MINK1TNIK
SCHEMBL4103655 0.86 MAP4K4 (0.42) MAP4K4MKNK2LTA4HMKNK1CYP1A2
SCHEMBL4110070 0.86 TP53 (0.45) MAP4K4MKNK2MKNK1CYP1A2CYP3A4
SCHEMBL4107908 0.86 MAP4K4 (0.43) MAP4K4MKNK2MKNK1MINK1TNIK
SCHEMBL4112126 0.83 MKNK2 (0.45) MAP4K4MKNK2MKNK1MINK1TNIK
SCHEMBL4107022 0.82 LTA4H (0.43) MAP4K4LTA4H
SCHEMBL4103529 0.81 MAP4K4 (0.44) MAP4K4MKNK2MKNK1MINK1TNIK
SCHEMBL4105799 0.81 RET (0.43) MAP4K4LTA4H
SCHEMBL4095587 0.79 MAP4K4 (0.48) MAP4K4MKNK2MKNK1MINK1TNIK
SCHEMBL4114740 0.79 MAP4K4 (0.47) MAP4K4LTA4HCYP1A2CYP3A4CYP2D6

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 2166/4885MKNK2 4057/4885LTA4H 1944/4885

“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.