SCHEMBL5960720

SCHEMBL5960720

CC(=O)NNC(=O)c1cc(-c2ccncc2)cc2c1CCN2C(=O)[C@@H](C)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ROCK2 O75116 2/20 0.36
RPS6KA5 O75582 2/20 0.36
RPS6KA4 O75676 2/20 0.36
PRKACA P17612 2/20 0.36
MAPK1 P28482 2/20 0.36
GSK3B P49841 2/20 0.36
PRKX P51817 2/20 0.36
ROCK1 Q13464 2/20 0.36
PRKG1 Q13976 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
LIMK1 P53667 1/20 0.36
GSK3A P49840 1/20 0.36
IRAK1 P51617 1/20 0.36
PKN2 Q16513 1/20 0.36
SGK2 Q9HBY8 1/20 0.36
HDAC8 Q9BY41 3/20 0.35
GPR142 Q7Z601 3/20 0.34

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
SCHEMBL5960721 0.90 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10ROCK2RPS6KA5
SCHEMBL6028328 0.84 ADORA1 (0.41) CYP3A4MAPK1AKT1CTSLCTSS
SCHEMBL2684046 0.79 GPR142 (0.41) HDAC8GPR142TSHR
SCHEMBL2684070 0.79 GPR142 (0.40) ALDH1A1HDAC8GPR142
SCHEMBL2684073 0.79 GPR142 (0.40) ALDH1A1HDAC8GPR142
SCHEMBL2683937 0.78 IKBKB (0.42) ROCK2GSK3BCLK4HDAC8GPR142
SCHEMBL2683939 0.78 IKBKB (0.42) ROCK2GSK3BCLK4HDAC8GPR142
SCHEMBL5960723 0.76 HSD17B10 (0.36) ALDH1A1CYP3A4HSD17B10HDAC8CYP46A1
SCHEMBL2685213 0.76 PRKCI (0.39) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1
SCHEMBL2685211 0.76 PRKCI (0.39) ROCK2RPS6KA5RPS6KA4PRKACAMAPK1

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-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A ALDH1A1 2340/4885CYP3A4 959/4885HSD17B10 541/4885

“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.