SCHEMBL845984

SCHEMBL845984

CC(C)(C)Oc1nc(N)nc2ccc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
DHFR P00374 2/20 0.43
PLAU P00749 1/20 0.39
ADORA3 P0DMS8 3/20 0.38
GRM5 P41594 2/20 0.38
HCAR3 P49019 1/20 0.38
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
ATM Q13315 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
SCHEMBL845208 0.84 NPC1 (0.46) NPC1RAB9ASCN10AKMT2AMEN1
SCHEMBL845757 0.82 NPC1 (0.44) NPC1RAB9ASCN10AKMT2AMEN1
SCHEMBL845755 0.82 CHRNB2 (0.47) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL846542 0.80 NPC1 (0.42) NPC1RAB9AKMT2AMEN1DHFR
SCHEMBL845983 0.80 DHFR (0.64) DHFR
SCHEMBL845184 0.75 GRM5 (0.41) NPC1RAB9ASCN10AKMT2AMEN1
SCHEMBL4785030 0.75 NPC1 (0.43) NPC1RAB9ASCN10AKMT2AMEN1
SCHEMBL2570298 0.70 KMT2A (0.70) NPC1RAB9AKMT2AMEN1ADORA3
SCHEMBL825655 0.69 MKNK1 (0.47) NPC1RAB9AKMT2A
SCHEMBL846568 0.69 DHFR (0.58) DHFR

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 3030/4885SCN10A 4463/4885

“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.