SCHEMBL248841

SCHEMBL248841

CN(C)Cc1ccc(C#N)cc1N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.61
SLC6A2 P23975 9/20 0.61
SLC6A3 Q01959 8/20 0.61
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL11620126 0.87 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL1026069 0.81 CYP2A6 (0.48) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
Dasb SCHEMBL29380613 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
Dasb SCHEMBL29689760 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
Dasb SCHEMBL586446 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
Dasb SCHEMBL29459573 0.77 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3TDP1
SCHEMBL19175665 0.76 HRH4 (0.46) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL8388814 0.76 KDM4E (0.55) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL1375736 0.76 KDM4E (0.42) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL26020302 0.75 TRPV4 (0.45) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1

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 SLC6A4 1281/4885SLC6A2 2890/4885SLC6A3 2946/4885

“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.