SCHEMBL1201899

SCHEMBL1201899

CC(C)(C)C#Cc1cccnc1C(=O)Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 6/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 2/20 0.36
HSP90AA1 P07900 1/20 0.36
PAX8 Q06710 1/20 0.36
PTGES O14684 6/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PARP1 P09874 2/20 0.35
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL4243669 0.88 KDM4E (0.41) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1202325 0.86 MAOB (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8258909 0.84 NPC1 (0.39) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1202227 0.84 PTGES (0.37) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1202053 0.83 NPC1 (0.35) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1202152 0.83 RIPK1 (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12846012 0.79 MAOB (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL1201733 0.78 PTGES (0.37) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8258916 0.78 MAOB (0.47) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL9611894 0.77 GSK3B (0.40) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-03-17 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 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 (3 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885SMN1; SMN2 1971/4885NPC1 188/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2474/4885SMN1; SMN2 2050/4885NPC1 190/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP RAB9A 2719/4885SMN1; SMN2 1971/4885NPC1 188/4885

“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.