SCHEMBL2228565

SCHEMBL2228565

Cc1cccc(C(O)c2cnccn2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.33
KAT7 O95251 1/20 0.32
KAT6A Q92794 1/20 0.32
KDR P35968 1/20 0.32
CYP2A6 P11509 1/20 0.31
NOTUM Q6P988 1/20 0.31
ADRA2A P08913 4/20 0.31
ADRA2B P18089 4/20 0.31
ADRA2C P18825 4/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1B P35368 3/20 0.31
ADRA1D P25100 2/20 0.31
KCNH2 Q12809 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL8745916 0.84 GAA (0.59) GAAKMT2ACYP2A6NOTUMKCNH2
SCHEMBL2225419 0.79 GAA (0.37) GAA
SCHEMBL14831285 0.77 EGFR (0.38) GAAKAT7KAT6AKCNH2HPGD
SCHEMBL11685401 0.75 GAA (0.41) GAAKCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL8745972 0.72 HPGD (0.53) GAAKCNH2CYP1A2CYP3A4CYP2C19
SCHEMBL8745945 0.70 ATM (0.48) GAAKMT2AKAT7KAT6ALMNA
SCHEMBL8745920 0.69 PIEZO1 (0.38) GAAKMT2ANOTUMKCNH2CYP3A4
SCHEMBL15662344 0.68 GABRA1 (0.38) GAACYP2A6ADRA2AADRA2BADRA2C
SCHEMBL2483839 0.68 GABRA1 (0.38) GAACYP2A6ADRA2AADRA2BADRA2C
SCHEMBL15661957 0.68 GABRA1 (0.38) GAACYP2A6ADRA2AADRA2BADRA2C

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 GAA 230/4885KMT2A 1229/4885KAT7 4242/4885

“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.