SCHEMBL4535650

SCHEMBL4535650

N[C@H](Cc1csc2ccccc12)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.54
AKT1 P31749 6/20 0.46
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 5/20 0.46
PIM1 P11309 2/20 0.46
PRKACA P17612 2/20 0.46
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
PRKCD Q05655 2/20 0.46
DYRK1A Q13627 2/20 0.46
CDC42BPA Q5VT25 2/20 0.46
FGFR3 P22607 1/20 0.46
LIMK1 P53667 1/20 0.46
DPP4 P27487 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
CDC7 O00311 1/20 0.43
CHUK O15111 1/20 0.43
MAPK13 O15264 1/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL4522394 0.84 MMP2 (0.46) AAK1ROCK2ROCK1NPC1MAPT
SCHEMBL4535653 0.80 F10 (0.47) AKT1ROCK2ROCK1DPP4DPP8
SCHEMBL5557511 0.80 MMP2 (0.54) DPP4DPP8DPP9NPC1MAPT
SCHEMBL4525345 0.79 AAK1 (0.58) AAK1AKT1ROCK2ROCK1PIM1
SCHEMBL4525580 0.79 AAK1 (0.58) AAK1AKT1ROCK2ROCK1PIM1
SCHEMBL10267381 0.79 AAK1 (0.58) AAK1AKT1ROCK2ROCK1PIM1
SCHEMBL4523817 0.79 RUVBL1 (0.67) AAK1AKT1ROCK2ROCK1PIM1
SCHEMBL10260826 0.78 ROCK2 (0.64) AAK1AKT1ROCK2ROCK1PRKACA
SCHEMBL2802584 0.78 ROCK2 (0.64) AAK1AKT1ROCK2ROCK1PRKACA
SCHEMBL2802593 0.78 ROCK2 (0.64) AAK1AKT1ROCK2ROCK1PRKACA

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 736/4885AKT1 41/4885ROCK2 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.