SCHEMBL249086

SCHEMBL249086

Nc1cccc(CN2CCOCC2)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 8/20 0.61
CYP2C9 P11712 2/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCR4 P61073 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NCF1 P14598 1/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL247774 0.85 ALDH1A1 (0.56) CYP2A13ALDH1A1KDM4EADORA2AADORA1
SCHEMBL10315553 0.83 ALDH1A1 (0.59) ALDH1A1KDM4EADORA2AADORA1CYP2D6
SCHEMBL31172442 0.83 CYP2A13 (0.57) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL6055273 0.83 CYP2A13 (0.57) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL2338990 0.83 CYP2A13 (0.64) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
Hydrochloric Acid SCHEMBL9423982 0.81 CYP2A13 (0.62) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL17724132 0.81 CYP2A13 (0.71) CYP2A13CYP2C9ALOX15HSD17B10CXCR4
SCHEMBL24113849 0.81 KDM4E (0.48) ALDH1A1KDM4ENCF1ADORA2AADORA1
SCHEMBL30543439 0.81 LMNA (0.51) CYP2A13CXCR4ALDH1A1KMT2AMEN1
SCHEMBL28257971 0.81 ALDH1A1 (0.40) CYP2A13ALDH1A1KDM4EKMT2AMEN1

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
CN-114989173-B Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2024-03-19 CN disclosed
WO-2022184000-A1 IMIDAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广州市恒诺康医药科技有限公司 2022-09-09 WO disclosed
CN-114989173-A Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2022-09-02 CN 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
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 CYP2A13 3324/4885CYP2C9 3643/4885ALOX15 3342/4885

“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.