SCHEMBL2685986

SCHEMBL2685986

CNc1cc(-c2nnc(NC(=O)[C@@H](N)Cc3ccccc3)s2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 5/20 0.67
ROCK1 Q13464 3/20 0.47
NOX1 Q9Y5S8 4/20 0.46
CIT O14578 1/20 0.44
XIAP P98170 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK2 O75116 2/20 0.42

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
SCHEMBL2685328 0.84 GPR142 (0.60) GPR142ROCK1NOX1KDM4E
SCHEMBL2685334 0.84 GPR142 (0.60) GPR142ROCK1NOX1KDM4E
SCHEMBL6027536 0.81 GPR142 (0.65) GPR142NOX1
SCHEMBL6028904 0.80 GPR142 (1.00) GPR142
SCHEMBL2425005 0.78 RAB9A (0.60) XIAPKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2686119 0.77 GPR142 (0.65) GPR142CITAAK1RAB9A
Hydrochloric Acid SCHEMBL1600794 0.76 ROCK1 (0.56) GPR142ROCK1NOX1PIK3CDPIK3CA
SCHEMBL4949860 0.72 NPC1 (0.52) GPR142KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL19302571 0.72 MEN1 (0.55) GPR142NOX1KDM4ENPC1RAB9A
SCHEMBL2686806 0.72 GPR142 (0.85) GPR142

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 6 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-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
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A GPR142 2779/4885ROCK1 4103/4885NOX1 2943/4885

“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.