SCHEMBL4511047

SCHEMBL4511047

COc1ccc(CNC(=O)Nc2ccc(-c3ccncc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.74
NAMPT P43490 9/20 0.74
ROCK1 Q13464 2/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTT P42858 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 1/20 0.58

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
SCHEMBL11617361 0.92 NAMPT (0.85) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL15574269 0.90 NAMPT (0.74) ROCK2NAMPTROCK1SMN1; SMN2NPC1
SCHEMBL23747751 0.90 NAMPT (0.78) NAMPTSMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL17916794 0.88 SMN1; SMN2 (0.88) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL26098344 0.88 NAMPT (0.82) NAMPTSMN1; SMN2NPC1RAB9AHDAC1
SCHEMBL30361482 0.87 ROCK2 (0.67) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL23747735 0.87 ROCK2 (0.67) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL26100763 0.86 NAMPT (0.73) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL23747755 0.86 NAMPT (0.73) ROCK2NAMPTSMN1; SMN2NPC1RAB9A
SCHEMBL20379939 0.86 NAMPT (0.89) NAMPTHDAC1HDAC6

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 2/4885NAMPT 1049/4885ROCK1 1/4885

“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.