SCHEMBL4113649

SCHEMBL4113649

Nc1nc(-c2ccc(F)c(F)c2)c2nc(Cl)ccc2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.42
HSP90AB1 P08238 1/20 0.42
ADORA2A P29274 6/20 0.40
ADORA1 P30542 3/20 0.40
MAP4K4 O95819 2/20 0.38
GPR68 Q15743 1/20 0.35
DPP4 P27487 1/20 0.35
BACE1 P56817 1/20 0.35
ADORA2B P29275 2/20 0.35
PIK3CG P48736 1/20 0.34
IDO1 P14902 1/20 0.34
TOP1 P11387 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4097718 0.90 ADORA2A (0.51) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4108265 0.90 ADORA2A (0.39) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4115434 0.84 ADORA2A (0.53) DHFRHSP90AB1ADORA2AADORA1ADORA2B
SCHEMBL4102769 0.83 HSP90AB1 (0.50) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4107401 0.82 NPC1 (0.50) DHFRHSP90AB1ADORA1MAP4K4NPC1
SCHEMBL4113539 0.82 ADORA2A (0.41) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4097195 0.82 ADORA2A (0.46) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4113889 0.82 MAP4K4 (0.42) HSP90AB1ADORA2AADORA1MAP4K4BACE1
SCHEMBL4114693 0.81 ADORA2A (0.43) DHFRHSP90AB1ADORA2AADORA1MAP4K4
SCHEMBL4108093 0.80 HSP90AB1 (0.45) DHFRHSP90AB1ADORA2AADORA1MAP4K4

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 DHFR 145/4885HSP90AB1 4606/4885ADORA2A 165/4885

“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.