SCHEMBL4239443

SCHEMBL4239443

Nc1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GRM5 P41594 8/20 0.51
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.46
SGMS2 Q8NHU3 1/20 0.45

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
SCHEMBL4239436 0.85 MEN1 (0.51) MEN1KMT2AKDM4EL3MBTL1GRM5
SCHEMBL4239271 0.84 HRH4 (0.43) GRM5
SCHEMBL11428622 0.82 PRKCI (0.50) MEN1KMT2AKDM4EGRM5NPC1
SCHEMBL4242702 0.81 PARP1 (0.41)
SCHEMBL4235147 0.79 PARP1 (0.47) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL24112332 0.77 PKN1 (0.61)
SCHEMBL29863092 0.77 MEN1 (0.63) MEN1KMT2AKDM4EL3MBTL1GRM5
SCHEMBL1896561 0.77 PARP1 (0.65) MEN1KMT2AKDM4EL3MBTL1GRM5
SCHEMBL12662135 0.77 CHRNB2 (0.47) MEN1KMT2AKDM4EL3MBTL1GRM5
SCHEMBL12673252 0.77 PKN1 (0.45) MEN1KMT2AKDM4EL3MBTL1GRM5

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
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
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-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 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-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 (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 MEN1 2918/4885KMT2A 4094/4885KDM4E 3510/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885KDM4E 3510/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP MEN1 2918/4885KMT2A 4094/4885KDM4E 3510/4885

“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.