SCHEMBL250206

SCHEMBL250206

CN(C)Cc1c(N)cccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAP2K1 Q02750 1/20 0.33

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
SCHEMBL29355884 0.79 CYP1A2 (0.40) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL8390992 0.79 KDM4E (0.45) SLC6A4SLC6A2SLC6A3TSHRALDH1A1
SCHEMBL28190550 0.77 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6457239 0.76 CYP3A4 (0.41) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL1375312 0.76 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6742592 0.76 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL6737403 0.76 CYP3A4 (0.43) CYP3A4CYP1A2CYP2C9CYP2C19TSHR
SCHEMBL248839 0.72 ALDH1A1 (0.41) TSHRALDH1A1MAPTKDM4E
SCHEMBL27895036 0.72 KDM4E (0.49) SLC6A4SLC6A2SLC6A3TSHRALDH1A1
SCHEMBL6089703 0.70 CYP3A4 (0.42) CYP3A4CYP1A2CYP2C9CYP2C19TSHR

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 CYP3A4 1052/4885CYP1A2 2697/4885CYP2C9 3643/4885

“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.