SCHEMBL10259587

SCHEMBL10259587

Nc1nccc(-c2ccc(NC(=O)[C@H](N)Cc3cccs3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.48
CTSC P53634 9/20 0.45
ROCK2 O75116 2/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CIT O14578 2/20 0.41
AAK1 Q2M2I8 1/20 0.41
LARS1 Q9P2J5 1/20 0.41

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
SCHEMBL4526690 0.83 CIT (0.59) IKBKBROCK2JAK2JAK3KDM4E
SCHEMBL4518039 0.82 AAK1 (0.60) CTSCROCK2LMNAKDM4EALDH1A1
SCHEMBL27723723 0.82 AAK1 (0.60) CTSCROCK2LMNAKDM4EALDH1A1
SCHEMBL4512018 0.82 AAK1 (0.60) CTSCROCK2LMNAKDM4EALDH1A1
SCHEMBL4528969 0.82 ROCK2 (0.47) IKBKBROCK2JAK2JAK3KDM4E
SCHEMBL4534587 0.79 ROCK2 (0.45) ROCK2JAK2JAK3KDM4ECIT
SCHEMBL4522585 0.79 ROCK2 (0.61) ROCK2JAK2JAK3KDM4ECIT
SCHEMBL4528422 0.79 CIT (0.48) ROCK2JAK2JAK3KDM4ECIT
SCHEMBL4525156 0.78 ROCK2 (0.63) ROCK2JAK2JAK3CITLARS1
SCHEMBL4527259 0.76 CIT (0.62) ROCK2KDM4EALDH1A1CIT

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 5 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-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 IKBKB 489/4885CTSC 1388/4885ROCK2 2/4885

“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.