SCHEMBL4114693

SCHEMBL4114693

Nc1nc(-c2ccc(F)c(F)c2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.43
MAP4K4 O95819 4/20 0.42
DHFR P00374 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MINK1 Q8N4C8 1/20 0.39
TNIK Q9UKE5 1/20 0.39
SCN9A Q15858 1/20 0.39
ADORA1 P30542 3/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX5 P09917 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2B P29275 1/20 0.35
TOP1 P11387 2/20 0.35
HSP90AB1 P08238 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
SCHEMBL4112813 0.89 ADORA2A (0.54) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4107270 0.88 ADORA2A (0.44) ADORA2AMAP4K4DHFRKDM4EMINK1
SCHEMBL4106987 0.88 ADORA2A (0.47) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4108402 0.86 MAP4K4 (0.47) ADORA2AMAP4K4DHFRKDM4EMINK1
SCHEMBL4114902 0.85 MAP4K4 (0.50) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4102285 0.85 ADORA2A (0.48) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4102228 0.84 ADORA2A (0.45) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4115765 0.84 NPC1 (0.43) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4102893 0.84 ADORA2A (0.48) ADORA2AMAP4K4DHFRKDM4ESCN9A
SCHEMBL4097613 0.83 ADORA2A (0.60) ADORA2AMAP4K4SCN9AADORA1ADORA2B

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 ADORA2A 165/4885MAP4K4 2166/4885DHFR 145/4885

“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.