SCHEMBL9611894

SCHEMBL9611894

O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ncccc1-c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
DHODH Q02127 1/20 0.39
WNT1 P04628 6/20 0.37
TGFBR1 P36897 5/20 0.37
PARP1 P09874 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKN1 Q16512 1/20 0.36
PKN2 Q16513 1/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAOB P27338 2/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL12846012 0.88 MAOB (0.43) DHODHPARP1NPC1RAB9AMEN1
SCHEMBL12845972 0.84 IRAK4 (0.42) GSK3BDHODHWNT1TGFBR1PARP1
SCHEMBL1202053 0.83 NPC1 (0.35) GSK3BDHODHPARP1NPC1RAB9A
SCHEMBL8258916 0.80 MAOB (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL8258909 0.79 NPC1 (0.39) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1202325 0.78 MAOB (0.40) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1201899 0.77 RAB9A (0.37) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1201877 0.76 PKN1 (0.47) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1201440 0.76 RAB9A (0.43) PARP1NPC1RAB9AMEN1KMT2A
SCHEMBL1201932 0.76 MAOB (0.35) DHODHPARP1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP 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-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 (2 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 GSK3B 76/4885DHODH 907/4885WNT1 1587/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP GSK3B 113/4885DHODH 1326/4885WNT1 1844/4885

“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.