SCHEMBL17037449

SCHEMBL17037449

CC(C)C(C)C(=O)NCCc1cn(C)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
TP53 P04637 2/20 0.51
RAB9A P51151 1/20 0.51
HTR2A P28223 1/20 0.50
HDAC3 O15379 3/20 0.48
HDAC4 P56524 3/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48

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
SCHEMBL17040280 0.91 KDM4E (0.60) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL16822153 0.82 KMT2A (0.62) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL4509981 0.82 NQO2 (0.64) KDM4EHPGDHSD17B10KMT2AMEN1
Hydrochloric Acid SCHEMBL29212827 0.81 KMT2A (0.60) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL21614239 0.80 KDM4E (0.60) KDM4EHPGDHSD17B10KMT2AMEN1
Sulfuric Acid SCHEMBL29212817 0.78 KMT2A (0.57) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL29212824 0.78 KMT2A (0.57) KDM4EHPGDHSD17B10KMT2AMEN1
Phosphoric Acid SCHEMBL29212832 0.78 KMT2A (0.57) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL4702213 0.77 KMT2A (0.59) KDM4EHPGDHSD17B10KMT2AMEN1
SCHEMBL25100776 0.76 HTR2A (0.59) KDM4EHPGDHSD17B10KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 KDM4E 1537/4885HPGD 2013/4885HSD17B10 3844/4885

“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.