SCHEMBL11339

SCHEMBL11339

CC(=Cc1cc2cc(Br)ccc2nc1NC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
CCNE2 O96020 5/20 0.36
CCNE1 P24864 5/20 0.36
CDK2 P24941 5/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DYRK1A Q13627 1/20 0.35
HTT P42858 1/20 0.35
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11338 1.00 PPARA (0.38) PPARACCNE2CCNE1CDK2CDK4
SCHEMBL11096 0.81 CDK2 (0.40) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14322027 0.79 DGAT1 (0.34)
SCHEMBL14617054 0.79 MAOA (0.43) PPARACCNE2CCNE1CDK2CDK4
SCHEMBL21988887 0.76 CDK2 (0.43) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14322180 0.75 BACE1 (0.38) RAB9ANPC1HTT
SCHEMBL14322179 0.75 BACE1 (0.38) RAB9ANPC1HTT
SCHEMBL9405 0.74 MEN1 (0.43) ALDH1A1RAB9ANPC1KDM4EGAA
SCHEMBL9404 0.74 MEN1 (0.43) ALDH1A1RAB9ANPC1KDM4EGAA
SCHEMBL1490662 0.73 AKR1C3 (0.46) PPARAALDH1A1RAB9ANPC1CYP1A2

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 PPARA 2343/4885CCNE2 629/4885CCNE1 739/4885

“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.