SCHEMBL250178

SCHEMBL250178

N#Cc1ccc(CN2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
VCAM1 P19320 2/20 0.50
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.44
CASP4 P49662 1/20 0.44
CASP5 P51878 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.43
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42

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
SCHEMBL19175112 0.88 VCAM1 (0.47) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL248962 0.88 CTSB (0.50) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL23133343 0.83 VCAM1 (0.47) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL23133365 0.83 VCAM1 (0.47) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL6891634 0.78 MEN1 (0.59) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL11197796 0.77 KDM4E (0.47) MEN1KMT2AKDM4EPOLB
SCHEMBL3152366 0.77 MEN1 (0.58) MEN1KMT2AMAPTTDP1CASP1
SCHEMBL28586443 0.76 POLB (0.54) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL5041313 0.76 VCAM1 (0.58) MEN1KMT2AVCAM1MAPTTDP1
SCHEMBL3917442 0.76 VCAM1 (0.58) MEN1KMT2AVCAM1MAPTTDP1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47122-E1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA University—Industry Collaboration Foundation (KR) 2018-11-13 US disclosed
EP-2947081-B1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-10-18 EP disclosed
EP-2588479-B3 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUND (KR) 2017-03-29 EP disclosed
CN-103025731-B 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors EWHA UNIVERSITY INDUSTRY COLLABORATION FOUNDATION (KR) 2016-01-13 CN disclosed
EP-2947081-A1 2-Pyridyl substituted imidazoles as therapeutic Alk5 and/or Alk4 inhibitors Ewha University-Industry Collaboration Foundation (KR) 2015-11-25 EP disclosed
EP-2588479-B1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS UNIV EWHA IND COLLABORATION (KR) 2015-03-04 EP disclosed
EP-2588479-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS Ewha University-Industry Collaboration Foundation (KR) 2013-05-08 EP disclosed
CN-103025731-A 2-pyridyl substituted imidazoles as ALK5 and/or ALK4 inhibitors UNIV EWHA IND COLLABORATION 2013-04-03 CN disclosed
WO-2012002680-A2 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2012-01-05 WO disclosed
US-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-29 US disclosed
US-8080568-B1 2-pyridyl substituted imidazoles as therapeutic ALK5 and/or ALK4 inhibitors EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2011-12-20 US 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-20110319406-A1 2-PYRIDYL SUBSTITUTED IMIDAZOLES AS THERAPEUTIC ALK5 AND/OR ALK4 INHIBITORS ALK, ACVR1, ACVRL1 MEN1 1869/4885KMT2A 1674/4885VCAM1 448/4885

“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.