SCHEMBL1767757

SCHEMBL1767757

Cc1ccccc1-c1cc2ccccc2nc1N

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CTSD P07339 1/20 0.51
BACE1 P56817 1/20 0.51
PIK3CD O00329 7/20 0.51
TLR8 Q9NR97 3/20 0.50
DHFR P00374 1/20 0.50
ADORA2A P29274 1/20 0.46
MBNL1 Q9NR56 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL8134814 0.79 FGFR1 (0.66) NPC1RAB9AMEN1KMT2ACTSD
SCHEMBL30395230 0.79 TDP1 (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5745605 0.79 TDP1 (0.59) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL16739392 0.79 NPC1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL1767756 0.77 MEN1 (1.00) NPC1RAB9AMEN1KMT2AATM
Hydrochloric Acid SCHEMBL27573278 0.77 TDP1 (0.57) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL22509830 0.76 NPC1 (0.55) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8574353 0.76 KMT2A (0.74) NPC1RAB9AMEN1KMT2AATM
SCHEMBL28850708 0.75 HPGD (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL28229302 0.75 ALDH1A1 (0.53) NPC1RAB9AKMT2AKDM4EALDH1A1

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
US-8822485-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-01-17 US disclosed
EP-2504330-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063272-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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 (1 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-20130018064-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP NPC1 1927/4885RAB9A 1150/4885MEN1 4504/4885

“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.