SCHEMBL4525537

SCHEMBL4525537

O=C(Nc1ccc(-c2ccncc2)cc1)c1ccc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
STAT3 P40763 1/20 0.55
IKBKE Q14164 2/20 0.54
TBK1 Q9UHD2 2/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
GFER P55789 1/20 0.53
GAA P10253 1/20 0.53
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
TMIGD3 P0DMS9 1/20 0.51
ADORA1 P30542 1/20 0.51
HTT P42858 1/20 0.49
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTPN1 P18031 2/20 0.47

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
SCHEMBL29368677 0.79 NPC1 (0.60) SCN9APOLBNPC1RAB9AGFER
SCHEMBL4954697 0.79 NPC1 (0.59) SCN9ASMN1; SMN2NPC1RAB9AGFER
SCHEMBL23734986 0.79 GAA (0.85) SMN1; SMN2POLBSTAT3GAAHTT
SCHEMBL30828578 0.79 GAA (0.78) SMN1; SMN2POLBSTAT3GAAHTT
SCHEMBL30828573 0.79 GAA (0.78) SMN1; SMN2POLBSTAT3GAAHTT
SCHEMBL31324053 0.78 NPC1 (0.68) SCN9APOLBNPC1RAB9AGFER
SCHEMBL6037540 0.78 NPC1 (0.58) SCN9ANPC1RAB9AGFERKDM1A
SCHEMBL22822554 0.78 RAB9A (0.58) SCN9ASMN1; SMN2POLBNPC1RAB9A
SCHEMBL16692690 0.78 NPC1 (0.58) SCN9ANPC1RAB9AGFERKDM1A
SCHEMBL6448103 0.78 POLB (0.81) SMN1; SMN2POLBSTAT3NPC1RAB9A

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 SCN9A 2847/4885SMN1; SMN2 3046/4885POLB 3624/4885

“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.