SCHEMBL4097201

SCHEMBL4097201

Nc1nc(-c2cc(F)cc(Cl)c2)c2nc(-c3ccc(F)cc3)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.48
ADORA2A P29274 6/20 0.41
KDM4E B2RXH2 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2B P29275 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
SCN9A Q15858 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL4114902 0.95 MAP4K4 (0.50) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4108402 0.91 MAP4K4 (0.47) MAP4K4ADORA2AKDM4EADORA1ADORA2B
SCHEMBL4102285 0.87 ADORA2A (0.48) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4112813 0.85 ADORA2A (0.54) MAP4K4ADORA2AKDM4EADORA1ADORA2B
SCHEMBL4106987 0.85 ADORA2A (0.47) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4113889 0.84 MAP4K4 (0.42) MAP4K4ADORA2AHSP90AB1ADORA1ADORA2B
SCHEMBL4115765 0.84 NPC1 (0.43) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4114693 0.83 ADORA2A (0.43) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4107270 0.82 ADORA2A (0.44) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1
SCHEMBL4107626 0.82 ADORA2A (0.43) MAP4K4ADORA2AKDM4EHSP90AB1ADORA1

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 2166/4885ADORA2A 165/4885KDM4E 2414/4885

“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.