SCHEMBL1201965

SCHEMBL1201965

CC(C)c1cnc(NC(=O)c2cccc3[nH]c(NC(=O)c4cc5ccccc5cn4)nc23)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
MAOB P27338 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CBLB Q13191 6/20 0.40
MAP3K5 Q99683 1/20 0.39
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PAX8 Q06710 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
KLF5 Q13887 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL1201842 0.85 MAOB (0.41) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1200822 0.84 MAOB (0.44) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1201787 0.83 MAOB (0.43) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL8258975 0.83 MAOB (0.46) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL8258838 0.83 KDM4E (0.44) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL8260173 0.83 KDM4E (0.44) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1202151 0.83 KDM4E (0.44) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1202261 0.83 MAOB (0.51) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1201486 0.82 MAOB (0.43) SMN1; SMN2MAOBADORA2AADORA2BADORA1
SCHEMBL1202315 0.82 RIPK1 (0.52) SMN1; SMN2MAOBADORA2AADORA2BADORA1

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 10 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
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-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-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
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 SMN1; SMN2 1971/4885MAOB 269/4885ADORA2A 3841/4885
US-20110065713-A1 Benzazole Derivatives, Compositions, and Methods of Use as B-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 2050/4885MAOB 127/4885ADORA2A 3347/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP SMN1; SMN2 1971/4885MAOB 269/4885ADORA2A 3841/4885

“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.