SCHEMBL2224470

SCHEMBL2224470

Cc1cccc(N2CCOCC2=O)c1Br

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
F10 P00742 4/20 0.39
PTGS2 P35354 4/20 0.37
AKR1C3 P42330 1/20 0.37
HCAR1 Q9BXC0 2/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL21805800 0.77 PIK3CD (0.38) F10PTGS2
SCHEMBL848455 0.74 F10 (0.44) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL28471494 0.73 F10 (0.43) PRKDCF10PTGS2ALOX15HSD17B10
SCHEMBL8306468 0.73 ALDH1A1 (0.49) PRKDCF10PTGS2ALDH1A1ALOX15
SCHEMBL29842516 0.72 F10 (0.43) F10PTGS2POLB
SCHEMBL21805487 0.72 PIK3CD (0.40) F10PTGS2ALDH1A1HSD17B10
SCHEMBL77090 0.72 MAPT (0.47) F10PTGS2RAF1ALDH1A1ALOX15
SCHEMBL21919936 0.71 USP2 (0.34) PRKDCCYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL848002 0.71 POLB (0.48) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL20502398 0.70 ALDH1A1 (0.48) F10PTGS2ALDH1A1

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
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B PRKDC 3296/4885CYP3A4 992/4885CYP2D6 1184/4885

“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.