SCHEMBL845208

SCHEMBL845208

CCOc1nc(N)nc2ccc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
DHFR P00374 1/20 0.43
GAA P10253 1/20 0.41
HCAR3 P49019 1/20 0.40
SCN10A Q9Y5Y9 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
SCHEMBL845755 0.91 CHRNB2 (0.47) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL846542 0.91 NPC1 (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL845449 0.90 NPC1 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL845757 0.89 NPC1 (0.44) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL845984 0.84 NPC1 (0.46) NPC1RAB9AMEN1KMT2ADHFR
SCHEMBL4785030 0.81 NPC1 (0.43) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL823691 0.81 MKNK2 (0.46) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL845207 0.80 DHFR (0.64) DHFR
SCHEMBL845184 0.75 GRM5 (0.41) NPC1RAB9AMEN1KMT2ASCN10A
SCHEMBL3341696 0.75 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2MEN1

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 3030/4885MAPT 2803/4885

“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.