SCHEMBL9652

SCHEMBL9652

Cc1ccccc1-c1cc(C=O)c(NC(=O)C(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
CETP P11597 1/20 0.38
ADORA1 P30542 2/20 0.38
LCK P06239 1/20 0.37
CTSL P07711 1/20 0.37
PTPRC P08575 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
CYP1A2 P05177 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
TOP2A P11388 1/20 0.37
PRKDC P78527 1/20 0.37
ATR Q13535 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14327935 0.78 NPC1 (0.41) NPC1RAB9ATP53MAPTLMNA
SCHEMBL9649 0.74 KDM4E (0.38) NPC1RAB9AMAPTLMNACETP
SCHEMBL8737 0.72 ALDH1A1 (0.42) NPC1RAB9ATP53MAPTLMNA
SCHEMBL4876024 0.71 LDHA (0.47) MAPTADORA1PTPN2PTPN1MEN1
SCHEMBL15565974 0.71 CETP (0.47) RAB9AMAPTLMNACETPADORA1
SCHEMBL15330236 0.70 TSHR (0.49) NPC1RAB9ATP53MAPTLMNA
SCHEMBL15427825 0.70 CETP (0.57) RAB9ALMNACETPCYP1A2CYP2D6
SCHEMBL6637207 0.69 TSHR (0.48) NPC1RAB9ATP53MAPTCETP
SCHEMBL15428010 0.69 SRC (0.44) TP53LMNACETPCYP1A2CYP2C19
SCHEMBL14183149 0.69 BRD9 (0.50) ADORA1LCKATR

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-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP NPC1 2088/4885RAB9A 1054/4885TP53 2390/4885

“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.