SCHEMBL4095646

SCHEMBL4095646

Fc1ccc(-c2ccc3ncnc(C4CCCCC4)c3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 16/20 0.45
PDE5A O76074 1/20 0.40
FFAR2 O15552 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
HDAC2 Q92769 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
TNIK Q9UKE5 1/20 0.38

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
SCHEMBL4106888 0.99 MAP4K4 (0.46) MAP4K4PDE5AFFAR2MKNK1MKNK2
SCHEMBL4106564 0.93 MAP4K4 (0.44) MAP4K4MKNK1MKNK2MINK1TNIK
SCHEMBL4106778 0.81 PDE5A (0.44) MAP4K4PDE5AFFAR2HDAC2
SCHEMBL4112242 0.79 PDE5A (0.42) MAP4K4PDE5AHDAC2
SCHEMBL4115100 0.74 MAP4K4 (0.52) MAP4K4MKNK1MKNK2MINK1TNIK
SCHEMBL3765370 0.74 NOS1 (0.45)
SCHEMBL4105791 0.73 GAK (0.39) MAP4K4PDE5AMKNK1MKNK2
SCHEMBL4112969 0.73 MAP4K4 (0.48) MAP4K4MKNK1MKNK2MINK1TNIK
SCHEMBL4523675 0.73 MAP4K4 (0.71) MAP4K4MINK1TNIK
SCHEMBL8258718 0.73 MAP4K4 (0.48) MAP4K4MKNK1MKNK2MINK1TNIK

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 2166/4885PDE5A 893/4885FFAR2 3439/4885

“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.