SCHEMBL4530262

SCHEMBL4530262

N[C@@H](Cc1cscn1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.58
GPR142 Q7Z601 11/20 0.53
CIT O14578 2/20 0.49
CAPN1 P07384 1/20 0.43
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 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
SCHEMBL4527879 1.00 AAK1 (0.58) AAK1GPR142CITCAPN1ROCK2
SCHEMBL4525866 0.78 GPR142 (0.46) AAK1GPR142CAPN1ROCK2ROCK1
SCHEMBL4524714 0.78 GPR142 (0.46) AAK1GPR142CAPN1ROCK2ROCK1
SCHEMBL4527883 0.78 GPR142 (0.45) AAK1GPR142CAPN1
SCHEMBL4530266 0.78 GPR142 (0.45) AAK1GPR142CAPN1
SCHEMBL1174119 0.77 DPP4 (0.45) GPR142CAPN1
SCHEMBL1174120 0.77 DPP4 (0.45) GPR142CAPN1
SCHEMBL6242818 0.77 DPP4 (0.45) GPR142CAPN1
SCHEMBL2802584 0.77 ROCK2 (0.64) AAK1GPR142CITROCK2ROCK1
SCHEMBL10260826 0.77 ROCK2 (0.64) AAK1GPR142CITROCK2ROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA AAK1 736/4885GPR142 3166/4885CIT 7/4885

“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.