SCHEMBL249415

SCHEMBL249415

O=[N+]([O-])c1cccc(CN2CCOCC2)c1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.54
CTSB P07858 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.49
ACHE P22303 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KCNJ1 P48048 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.46

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 0.90 ACHE (0.55) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL249152 0.87 MEN1 (0.52) POLBMCL1L3MBTL1MEN1KMT2A
SCHEMBL9008678 0.85 ACHE (0.65) CYP2A13CTSBPOLBSMN1; SMN2MCL1
SCHEMBL30543437 0.83 ACHE (0.49) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28257908 0.83 ALDH1A1 (0.49) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23369522 0.83 ACHE (0.52) POLBMEN1KMT2AALDH1A1ACHE
SCHEMBL3721123 0.83 CYP2A13 (0.54) CYP2A13CTSBPOLBSMN1; SMN2MCL1
SCHEMBL5235641 0.81 CTSB (0.48) CYP2A13CTSBPOLBSMN1; SMN2MCL1
SCHEMBL5235507 0.81 CTSB (0.48) CYP2A13CTSBPOLBSMN1; SMN2MCL1
SCHEMBL21240870 0.80 ALDH1A1 (0.54) POLBSMN1; SMN2L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed
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 CYP2A13 3324/4885CTSB 3136/4885POLB 3920/4885

“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.