SCHEMBL4537035

SCHEMBL4537035

Nc1nccc(-c2ccc(NC(=O)[C@H](N)c3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.52
AURKA O14965 1/20 0.52
PRKACA P17612 1/20 0.52
ADORA2A P29274 1/20 0.52
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 1/20 0.51
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45
APH1A Q96BI3 2/20 0.45
PSENEN Q9NZ42 2/20 0.45
BAZ1A Q9NRL2 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
PRNP P04156 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL4528972 1.00 HSP90AA1 (0.52) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4526690 0.82 CIT (0.59) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4528969 0.81 ROCK2 (0.47) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL24175445 0.80 PTPN1 (0.60) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL31396416 0.80 PTPN1 (0.60) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4527012 0.78 ROCK2 (0.65) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL10261049 0.78 ALDH1A1 (0.44) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4525668 0.78 ALDH1A1 (0.44) HSP90AA1AURKAPRKACAADORA2AROCK2
SCHEMBL4531698 0.78 ROCK2 (0.62) ROCK2ROCK1PSEN1PSEN2APH1B
SCHEMBL4527170 0.78 ROCK2 (0.62) ROCK2ROCK1PSEN1PSEN2APH1B

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 9 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
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 HSP90AA1 1087/4885AURKA 286/4885PRKACA 659/4885

“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.