SCHEMBL2280240

SCHEMBL2280240

Cc1cccc(C(=O)N2CC(C)CC(C)C2)c1-c1ccc2nc(N)c(N3CCOCC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GBA1 P04062 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
KDR P35968 1/20 0.38
POLB P06746 2/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
PLAUR Q03405 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5AP P20292 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL14688580 0.92 HTT (0.40) HTTGBA1LCKKITSRC
SCHEMBL14688582 0.92 HTT (0.40) HTTGBA1LCKKITSRC
SCHEMBL2286824 0.91 HPGD (0.41) HTTGBA1PLAURALDH1A1MAPT
SCHEMBL14688769 0.91 HPGD (0.41) HTTGBA1PLAURALDH1A1MAPT
SCHEMBL2279774 0.91 HTT (0.43) HTTGBA1LCKKITSRC
SCHEMBL14688368 0.90 HTT (0.47) HTTGBA1LCKKITSRC
SCHEMBL2229497 0.89 HTT (0.46) HTTGBA1LCKKITSRC
SCHEMBL2363690 0.89 HTT (0.46) HTTGBA1LCKKITSRC
SCHEMBL2282556 0.88 HTT (0.44) HTTGBA1LCKKITSRC
SCHEMBL14688282 0.88 HTT (0.45) HTTGBA1LCKKITSRC

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-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US claimed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US claimed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 WO claimed
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP 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 HTT 2538/4885GBA1 149/4885LCK 3696/4885

“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.