SCHEMBL4100538

SCHEMBL4100538

Fc1ccc(-c2ccc3ncnc(-c4ccc(-c5ccccc5)cc4F)c3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 12/20 0.46
TOP1 P11387 2/20 0.45
MKNK2 Q9HBH9 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTK2B Q14289 1/20 0.41
TGFBR1 P36897 1/20 0.38
DHODH Q02127 2/20 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
SCHEMBL4105867 0.86 MKNK2 (0.51) MAP4K4TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4107634 0.85 MKNK2 (0.48) MAP4K4TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4095649 0.85 MKNK2 (0.52) MAP4K4TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4107776 0.82 ADORA2A (0.47) MAP4K4TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4101429 0.80 MAP4K4 (0.49) MAP4K4MKNK2CYP1A2CYP2C9CYP2C19
SCHEMBL4102886 0.79 CYP1A2 (0.44) MAP4K4TOP1MKNK2CYP1A2CYP2C9
SCHEMBL4115100 0.79 MAP4K4 (0.52) MAP4K4MKNK2TGFBR1MINK1TNIK
SCHEMBL4101071 0.78 MAP4K4 (0.45) MAP4K4TOP1MKNK2TGFBR1MINK1
SCHEMBL4108630 0.78 MAP4K4 (0.56) MAP4K4MINK1TNIK
SCHEMBL4106894 0.78 MAP4K4 (0.47) MAP4K4TOP1MKNK2DHODHMINK1

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 2166/4885TOP1 1932/4885MKNK2 4057/4885

“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.