SCHEMBL845449

SCHEMBL845449

CCOCCCOc1nc(N)nc2ccc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
NOS1 P29475 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
HSD17B10 Q99714 1/20 0.39
DHFR P00374 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
EGFR P00533 1/20 0.37
ERBB3 P21860 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL846542 0.95 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNANOS1
SCHEMBL845755 0.90 CHRNB2 (0.47) NPC1RAB9ASMN1; SMN2LMNANOS1
SCHEMBL845208 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL845757 0.88 NPC1 (0.44) NPC1RAB9ASMN1; SMN2NOS1MEN1
SCHEMBL4785030 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL845448 0.82 DHFR (0.56) DHFR
SCHEMBL846340 0.80 DHFR (0.56) DHFR
SCHEMBL845984 0.79 NPC1 (0.46) NPC1RAB9AMEN1KMT2ADHFR
SCHEMBL846541 0.77 DHFR (0.57) DHFR
SCHEMBL825946 0.74 MKNK1 (0.44) NPC1RAB9AMEN1KMT2A

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 3030/4885SMN1; SMN2 1295/4885

“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.