SCHEMBL845757

SCHEMBL845757

COCCOc1nc(N)nc2ccc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DHFR P00374 1/20 0.41
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCAR3 P49019 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
NOS1 P29475 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL845755 0.91 CHRNB2 (0.47) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL846542 0.91 NPC1 (0.42) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL845208 0.89 NPC1 (0.46) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL845449 0.88 NPC1 (0.41) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL845984 0.82 NPC1 (0.46) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL845756 0.82 DHFR (0.60) DHFRTSHRTLR8TLR7
SCHEMBL4785030 0.77 NPC1 (0.43) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL4534010 0.76 TSHR (0.46) NPC1RAB9ATSHRTLR8TLR7
SCHEMBL823734 0.75 MKNK2 (0.41) NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL823773 0.74 MKNK2 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143394-B2 Pyrido(3,2-d)pyrimidines useful for treating viral infections GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC (US) 2009-12-31 US 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP NPC1 3135/4885RAB9A 3030/4885KMT2A 2746/4885

“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.