SCHEMBL846542

SCHEMBL846542

CCOCCOc1nc(N)nc2ccc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
DHFR P00374 1/20 0.39
NOS1 P29475 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
GRM4 Q14833 2/20 0.39
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.38
ERBB3 P21860 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NCF1 P14598 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 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
SCHEMBL845449 0.95 NPC1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL845755 0.91 CHRNB2 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL845757 0.91 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL845208 0.91 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4785030 0.85 NPC1 (0.43) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL846541 0.82 DHFR (0.57) DHFRNCF1
SCHEMBL845984 0.80 NPC1 (0.46) NPC1RAB9AMEN1KMT2ADHFR
SCHEMBL846340 0.77 DHFR (0.56) DHFR
SCHEMBL845448 0.77 DHFR (0.56) DHFR
SCHEMBL846268 0.74 DHFR (0.56) DHFRNOS1

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 3 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
WO-2008077649-A1 PYRIDO(3,2-D)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTONS GILEAD SCIENCES, INC. (US) 2008-07-03 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-20090324543-A1 PYRIDO(3,2-d)PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS PNPO, DPYD, PLPBP NPC1 3135/4885RAB9A 3030/4885MEN1 4807/4885

“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.