SCHEMBL4381908

SCHEMBL4381908

Cn1c(CNC(=O)c2cccc3[nH]c(N)nc23)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RECQL P46063 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL4381904 0.88 MAPT (0.50) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL12845950 0.79 MAPT (0.43) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL4240730 0.78 RAB9A (0.65) MAPTKMT2ARAB9ALMNASMN1; SMN2
SCHEMBL4241730 0.77 KLKB1 (0.45) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL24754416 0.76 PARP1 (0.51)
SCHEMBL24112332 0.75 PKN1 (0.61)
SCHEMBL12460094 0.74 MAPT (0.62) MAPTMEN1KMT2ARECQLNPC1
SCHEMBL4238154 0.73 LOXL2 (0.44) MAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL4244447 0.72 MAPT (0.47) MAPTMEN1KMT2ARECQLKDM4E
SCHEMBL4243739 0.72 HTT (0.58) MAPTRECQLRAB9ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP claimed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-1863771-B1 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS B-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS LLC (US) 2012-11-07 EP 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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 MAPT 85/4885MEN1 2918/4885KMT2A 4094/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MAPT 85/4885MEN1 2918/4885KMT2A 4094/4885

“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.