SCHEMBL2227410

SCHEMBL2227410

Cc1ccccc1C(=O)N(C)CC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TACR1 P25103 1/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 2/20 0.41
ABCB1 P08183 1/20 0.40
MEN1 O00255 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL31246466 0.88 KMT2A (0.59) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL14688342 0.85 KMT2A (0.59) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL14688079 0.84 KMT2A (0.44) KMT2ATSHRMAPK1TACR1TDP1
SCHEMBL15343524 0.80 KMT2A (0.67) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL19204050 0.80 KMT2A (0.67) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL22096218 0.79 KMT2A (0.41) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL16099241 0.79 KMT2A (0.56) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL18650130 0.79 NR4A1 (0.47) KMT2ATSHRMAPK1TDP1HPGD
SCHEMBL10269519 0.77 KMT2A (0.63) KMT2ATSHRMAPK1TACR1ERCC5
SCHEMBL20366867 0.77 KMT2A (0.68) KMT2ATSHRMAPK1ERCC5FEN1

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 3 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 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 KMT2A 1229/4885TSHR 3909/4885MAPK1 4183/4885

“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.