SCHEMBL4528969

SCHEMBL4528969

Nc1nccc(-c2ccc(NC(=O)[C@H](N)c3cccs3)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSP90AA1 P07900 2/20 0.42
AURKA O14965 1/20 0.42
PRKACA P17612 1/20 0.42
ADORA2A P29274 1/20 0.42
IKBKB O14920 2/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
PRNP P04156 1/20 0.41
POLB P06746 1/20 0.41
CDC7 O00311 1/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
JAK2 O60674 4/20 0.39
JAK3 P52333 4/20 0.39
HSP90AB1 P08238 1/20 0.39
PTK2 Q05397 1/20 0.39

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
SCHEMBL10259587 0.82 IKBKB (0.48) ROCK2KDM4EALDH1A1IKBKBJAK2
SCHEMBL4528972 0.81 HSP90AA1 (0.52) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL4537035 0.81 HSP90AA1 (0.52) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL4519745 0.81 AAK1 (0.53) ROCK2ALDH1A1MEN1KMT2AGAA
SCHEMBL4526690 0.74 CIT (0.59) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL24175445 0.71 PTPN1 (0.60) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL31396416 0.71 PTPN1 (0.60) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL4534587 0.71 ROCK2 (0.45) ROCK2KDM4EHSP90AA1AURKAPRKACA
SCHEMBL14562634 0.70 ROCK2 (0.61) ROCK2
SCHEMBL1105177 0.70 ROCK2 (0.61) ROCK2

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 10 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
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 WO 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 ROCK2 2/4885KDM4E 941/4885ALDH1A1 3985/4885

“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.