Sugi Predict

Sugi Predict / Compounds / SCHEMBL4097718

SCHEMBL4097718

SCHEMBL4097718

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ HSP90AB1 P08238 1/20 0.41
▸ MAP4K4 O95819 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ PIK3CA P42336 2/20 0.36
▸ DHFR P00374 3/20 0.36
▸ EPHB4 P54760 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ CACNA1B Q00975 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 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
SCHEMBL4113649 0.90 DHFR (0.42) ADORA2AADORA1HSP90AB1MAP4K4NPC1
SCHEMBL4108265 0.89 ADORA2A (0.39) ADORA2AADORA1HSP90AB1MAP4K4NPC1
SCHEMBL4107401 0.87 NPC1 (0.50) ADORA1HSP90AB1MAP4K4NPC1RAB9A
SCHEMBL4106987 0.84 ADORA2A (0.47) ADORA2AADORA1HSP90AB1MAP4K4DHFR
SCHEMBL4115434 0.82 ADORA2A (0.53) ADORA2AADORA1HSP90AB1DHFRKDM4E
SCHEMBL4102769 0.82 HSP90AB1 (0.50) ADORA2AADORA1HSP90AB1MAP4K4NPC1
SCHEMBL4113539 0.81 ADORA2A (0.41) ADORA2AADORA1HSP90AB1MAP4K4DHFR
SCHEMBL4097195 0.81 ADORA2A (0.46) ADORA2AADORA1HSP90AB1MAP4K4DHFR
SCHEMBL4113889 0.81 MAP4K4 (0.42) ADORA2AADORA1HSP90AB1MAP4K4BACE1
SCHEMBL4108093 0.79 HSP90AB1 (0.45) ADORA2AADORA1HSP90AB1MAP4K4DHFR

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 4 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
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 165/4885ADORA1 163/4885HSP90AB1 4606/4885

“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.