SCHEMBL2686192

SCHEMBL2686192

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)C(=O)Nc1nnc(-c2ccncc2)s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 8/20 0.55
GPR142 Q7Z601 1/20 0.54
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.48
GAA P10253 1/20 0.48
RCE1 Q9Y256 1/20 0.48
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
MAPT P10636 1/20 0.46
PRKACA P17612 1/20 0.45
ROCK1 Q13464 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4525931 0.83 ROCK2 (0.53) ALDH1A1PRKACAROCK1HTTKMT2A
SCHEMBL4525453 0.83 ROCK2 (0.53) ALDH1A1PRKACAROCK1HTTKMT2A
SCHEMBL2685328 0.79 GPR142 (0.60) NOX1GPR142KDM4EALDH1A1HPGD
SCHEMBL2685334 0.79 GPR142 (0.60) NOX1GPR142KDM4EALDH1A1HPGD
SCHEMBL4530261 0.78 WNT3A (0.44) PRKACAROCK1
SCHEMBL4527153 0.78 WNT3A (0.44) PRKACAROCK1
SCHEMBL2685860 0.78 GPR142 (0.62) NOX1GPR142KDM4EALDH1A1HPGD
SCHEMBL4525533 0.78 WNT3A (0.52) GPR142ROCK1
SCHEMBL4522545 0.78 WNT3A (0.52) GPR142ROCK1
SCHEMBL2685524 0.77 GPR142 (0.50) NOX1GPR142KDM4EALDH1A1HPGD

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 NOX1 2943/4885GPR142 2779/4885KDM4E 3283/4885

“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.