SCHEMBL249152

SCHEMBL249152

O=[N+]([O-])c1cccc(CN2CCCC2)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ACHE P22303 1/20 0.52
CASP1 P29466 1/20 0.49
CASP4 P49662 1/20 0.49
CASP5 P51878 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SIGMAR1 Q99720 1/20 0.48
CACNB4 O00305 1/20 0.47
CACNA1A O00555 1/20 0.47
CACNA1G O43497 1/20 0.47
CACNG3 O60359 1/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNB3 P54284 1/20 0.47
CACNA2D1 P54289 1/20 0.47
CACNG7 P62955 1/20 0.47
CACNA1B Q00975 1/20 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
SCHEMBL25937663 0.94 ACHE (0.55) MEN1KMT2AACHECASP1CASP4
SCHEMBL28257908 0.87 ALDH1A1 (0.49) MEN1KMT2AACHECASP1CASP4
SCHEMBL23369522 0.87 ACHE (0.52) MEN1KMT2AACHEALDH1A1POLB
SCHEMBL30543437 0.87 ACHE (0.49) MEN1KMT2AACHECASP1CASP4
SCHEMBL249415 0.87 CYP2A13 (0.54) MEN1KMT2AACHEALDH1A1POLB
SCHEMBL2372693 0.84 ACHE (0.70) MEN1KMT2AACHECASP1CASP4
SCHEMBL21240870 0.84 ALDH1A1 (0.54) MEN1KMT2AACHEALDH1A1POLB
SCHEMBL14351628 0.83 ACHE (0.68) MEN1KMT2AACHECASP1CASP4
Hydrochloric Acid SCHEMBL17439173 0.83 ALDH1A1 (0.53) MEN1KMT2AACHEALDH1A1POLB
SCHEMBL16171455 0.83 ALDH1A1 (0.53) MEN1KMT2AACHEALDH1A1POLB

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-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
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
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 1674/4885ACHE 3857/4885

“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.