SCHEMBL427282

SCHEMBL427282

[CH2]C(=O)NCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.52
KDM4E B2RXH2 4/20 0.47
PAOX Q6QHF9 1/20 0.46
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX4 Q99571 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL426171 0.86
SCHEMBL78355 0.81 KDM4E (0.59) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL36169 0.81 DNM1 (0.55) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL427283 0.79 KDM4E (0.61) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL794226 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL24485546 0.79 DNM1 (0.63) DNM1KDM4EPAOXHPGDPOLB
Hydrochloric Acid SCHEMBL10730965 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL10608974 0.79 DNM1 (0.53) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL4144564 0.78 DNM1 (0.58) DNM1KDM4EPAOXHPGDPOLB
SCHEMBL11149127 0.77 EPHX1 (0.58) DNM1KDM4EPAOXHPGD

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524411-A 2011-09-01 JP claimed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-7939548-B2 Aminopyridines, e.g.,N-{[6-(aminomethyl)(2-pyridyl)]methyl}(2-{[2-(3-fluorophenyl)ethyl]amino}-5-(3-pyridyl)(3-pyridyl))carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, COPD, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
EP-2303861-A1 PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2011-04-06 EP claimed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 WO claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
US-4057430-A MEROCYANINE THIOHYDANTOIN SENSITIZERS FUJI PHOTO FILM CO., LTD. (JA) 1977-11-08 US claimed
EP-2303861-B1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2014-04-23 EP disclosed
US-8569298-B2 Pyridine compounds ASTRAZENECA AB (SE) 2013-10-29 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-4040841-A SENSITIZING DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-08-09 US disclosed
US-4021251-A Silver halide photographic emulsions FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US disclosed
US-4014702-A Silver halide photographic emulsion FUJI PHOTO FILM CO., LTD. (JA) 1977-03-29 US disclosed
US-3953216-A BENZOXAZOLES, NAPHTHOXAZOLES FUJI PHOTO FILM CO., LTD. (JA) 1976-04-27 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 (6 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DNM1 314/4885KDM4E 3309/4885PAOX 1058/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI DNM1 2083/4885KDM4E 1520/4885PAOX 1658/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DNM1 1666/4885KDM4E 2725/4885PAOX 1003/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DNM1 314/4885KDM4E 3309/4885PAOX 1058/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP DNM1 1176/4885KDM4E 1747/4885PAOX 2640/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 DNM1 314/4885KDM4E 3309/4885PAOX 1058/4885

“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.