SCHEMBL4101447

SCHEMBL4101447

Cc1ccc(-c2nc(N)nc3ccc(-c4ccc(F)cc4)nc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.48
HSP90AB1 P08238 1/20 0.47
SCN9A Q15858 1/20 0.42
ADORA1 P30542 4/20 0.42
ADORA2B P29275 2/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
MCL1 Q07820 1/20 0.40
PTK2B Q14289 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A3 P47895 1/20 0.40

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 0.93 ADORA2A (0.54) ADORA2ASCN9AADORA1ADORA2BRAB9A
SCHEMBL4107626 0.89 ADORA2A (0.43) ADORA2AHSP90AB1SCN9AADORA1ADORA2B
SCHEMBL4097613 0.87 ADORA2A (0.60) ADORA2ASCN9AADORA1ADORA2B
SCHEMBL4113320 0.86 ADORA2A (0.58) ADORA2ASCN9AADORA1ADORA2BALDH1A3
SCHEMBL4102285 0.86 ADORA2A (0.48) ADORA2AHSP90AB1SCN9AADORA1ADORA2B
SCHEMBL4105860 0.86 MAP4K4 (0.44) ADORA2AHSP90AB1SCN9AADORA1ADORA2B
SCHEMBL4115112 0.85 ADORA2A (0.51) ADORA2ASCN9AADORA1NPC1RAB9A
SCHEMBL4103585 0.85 ADORA2A (0.45) ADORA2ASCN9AADORA1ADORA2BLMNA
SCHEMBL4102228 0.85 ADORA2A (0.45) ADORA2AHSP90AB1SCN9AADORA1ADORA2B
SCHEMBL4106844 0.85 ADORA2A (0.39) ADORA2AHSP90AB1SCN9AADORA1ADORA2B

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 165/4885HSP90AB1 4606/4885SCN9A 3335/4885

“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.