SCHEMBL4095649

SCHEMBL4095649

Fc1ccc(-c2ccc3ncnc(-c4ccccc4)c3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.52
MAP4K4 O95819 12/20 0.51
TOP1 P11387 2/20 0.45
ADORA2A P29274 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTK2B Q14289 1/20 0.42
ADORA1 P30542 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
TGFBR1 P36897 1/20 0.41

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
SCHEMBL4105867 0.99 MKNK2 (0.51) MKNK2MAP4K4TOP1ADORA2ACYP1A2
SCHEMBL4115100 0.94 MAP4K4 (0.52) MKNK2MAP4K4MINK1TNIKTGFBR1
SCHEMBL4107634 0.89 MKNK2 (0.48) MKNK2MAP4K4TOP1CYP1A2CYP2C9
SCHEMBL4106880 0.87 MAP4K4 (0.47) MKNK2MAP4K4HPGDPTK2BMINK1
SCHEMBL4105043 0.87 MAP4K4 (0.47) MKNK2MAP4K4CYP1A2CYP2C9HPGD
SCHEMBL4108630 0.87 MAP4K4 (0.56) MAP4K4MINK1TNIK
SCHEMBL4106894 0.86 MAP4K4 (0.47) MKNK2MAP4K4TOP1MINK1TNIK
SCHEMBL4100538 0.85 MAP4K4 (0.46) MKNK2MAP4K4TOP1CYP1A2CYP2C9
SCHEMBL4102943 0.85 TGFBR1 (0.46) MKNK2MAP4K4TOP1MINK1TNIK
SCHEMBL4101044 0.84 MAP4K4 (0.51) MKNK2MAP4K4MINK1TNIK

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 MKNK2 4057/4885MAP4K4 2166/4885TOP1 1932/4885

“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.