SCHEMBL15432243

SCHEMBL15432243

Nc1cnccc1NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 2/20 0.56
AKT1 P31749 1/20 0.54
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 1/20 0.50
LNPEP Q9UIQ6 5/20 0.48
ERAP2 Q6P179 2/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CIT O14578 1/20 0.46

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
SCHEMBL15432246 0.90 GPR142 (0.56) GPR142AKT1ROCK2ROCK1LNPEP
SCHEMBL9590958 0.79 AKT1 (0.66) GPR142AKT1ROCK2ROCK1ALPI
SCHEMBL15432238 0.77 ERAP2 (0.46) LNPEPERAP2
SCHEMBL20473200 0.77 GAA (0.57) GPR142AKT1ROCK2ROCK1ALPI
SCHEMBL20473201 0.77 GAA (0.57) GPR142AKT1ROCK2ROCK1ALPI
SCHEMBL6527819 0.76 LNPEP (0.56) GPR142ROCK2LNPEPERAP2ALPI
SCHEMBL28552924 0.76 SMN1; SMN2 (0.54) GPR142ROCK2ALPIPKMPTGS1
SCHEMBL21880156 0.76 SMN1; SMN2 (0.54) GPR142ROCK2ALPIPKMPTGS1
SCHEMBL2686274 0.76 GPR142 (0.67) GPR142AKT1ROCK2ROCK1
SCHEMBL2686269 0.76 GPR142 (0.67) GPR142AKT1ROCK2ROCK1

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-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-01-23 US disclosed
US-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES MS THERAPEUTICS LIMITED (GB) 2014-01-23 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-20140024621-A1 AMINOPYRIDINE COMPOUNDS AND THEIR USES DNPEP, PEPD, ANPEP GPR142 3748/4885AKT1 4278/4885ROCK2 3721/4885

“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.