SCHEMBL1629795

SCHEMBL1629795

[CH2]c1cccc(NCCCN)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.47
CHEK1 O14757 2/20 0.43
CDK7 P50613 1/20 0.42
STK17A Q9UEE5 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KARS1 Q15046 1/20 0.40
CCNT1 O60563 2/20 0.39
HRH4 Q9H3N8 2/20 0.38
PIM2 Q9P1W9 2/20 0.38
PIM1 P11309 2/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TLR8 Q9NR97 1/20 0.36
NUDT1 P36639 1/20 0.36
APP P05067 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
SCHEMBL1631569 0.89 CA12 (0.42) HRH3IRAK4ALDH1A1HSD17B10KARS1
SCHEMBL31742466 0.79 HRH3 (0.51) HRH3IRAK4CHEK1CDK7STK17A
SCHEMBL1629798 0.79 HRH3 (0.51) HRH3IRAK4CHEK1CDK7MEN1
SCHEMBL1631857 0.78 KDM4E (0.46) STK17AMEN1ALDH1A1HPGDKMT2A
SCHEMBL31742491 0.74 HRH3 (0.46) HRH3IRAK4CHEK1CDK7STK17A
SCHEMBL4721407 0.74 CHEK1 (0.47) HRH3IRAK4CHEK1CDK7MEN1
SCHEMBL12198652 0.72 HRH3 (0.56) HRH3IRAK4CHEK1CDK7STK17A
SCHEMBL29445680 0.72 HRH3 (0.56) HRH3IRAK4CHEK1CDK7STK17A
SCHEMBL1831590 0.70 CYP1A2 (0.58) HRH3IRAK4MEN1ALDH1A1HPGD
SCHEMBL5943488 0.70 NCF1 (0.52) HRH3IRAK4MEN1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US 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-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 disclosed
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 disclosed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US disclosed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US disclosed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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 (3 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 HRH3 1654/4885IRAK4 4363/4885CHEK1 2017/4885
US-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 HRH3 1654/4885IRAK4 4363/4885CHEK1 2017/4885
US-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 HRH3 1654/4885IRAK4 4363/4885CHEK1 2017/4885

“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.