SCHEMBL16750102

SCHEMBL16750102

CC(C)C(=O)NCc1cn(C)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.44
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
MTOR P42345 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
MAPK1 P28482 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
SCN9A Q15858 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
METTL3 Q86U44 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL2937818 0.81 HPGDS (0.46) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL12332384 0.81 NPSR1 (0.49) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL12304215 0.81 HPGD (0.44) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL12964153 0.79 HPGDS (0.44) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL12935908 0.77 HPGDS (0.44) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL28712747 0.75 HPGD (0.44) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL9959770 0.75 CYP2C9 (0.47) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL12158515 0.75 CYP2C9 (0.46) HPGDSTSHRCYP2C19CYP2C9MTOR
SCHEMBL22917015 0.74 KCNJ1 (0.40) TSHRERCC1ERCC4
SCHEMBL104974 0.74 CYP2C9 (0.48) HPGDSTSHRCYP2C19CYP2C9MTOR

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-9376418-B2 Substituted pyridine spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2016-06-28 US disclosed
US-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK CANADA INC. (CA) 2015-05-28 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-20150148327-A1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS SYK, BTK, LYN HPGDS 1119/4885TSHR 931/4885CYP2C19 964/4885

“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.