SCHEMBL1885154

SCHEMBL1885154

NCc1cccc(CNC(=O)c2cc(-c3ccncc3)cnc2NCCc2cccc(F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.44
CDC7 O00311 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
RPS6KB1 P23443 2/20 0.42
AKT1 P31749 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ROCK1 Q13464 3/20 0.42
PDPK1 O15530 1/20 0.41
AURKA O14965 1/20 0.40
KLKB1 P03952 3/20 0.39

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
SCHEMBL1884248 0.92 GBA1 (0.47) CLK4CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1880608 0.88 KDM4E (0.46) CSNK2A2CSNK2A1RPS6KB1AKT1KDM4E
SCHEMBL1880742 0.87 RPS6KB1 (0.42) CSNK2A2CSNK2A1RPS6KB1AKT1KDM4E
SCHEMBL1885463 0.86 MET (0.52) PIM1RPS6KB1PDPK1
SCHEMBL1885359 0.84 HIF1A (0.40) CLK4CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL1631874 0.79 KDM4E (0.43) CSNK2A2CSNK2A1RPS6KB1AKT1KDM4E
SCHEMBL1632048 0.79 F2 (0.42) CSNK2A2CSNK2A1RPS6KB1AKT1KDM4E
SCHEMBL1632049 0.77 ROCK2 (0.47) ROCK2RPS6KB1AKT1ROCK1
SCHEMBL12638986 0.77 MEN1 (0.45) CDK2CSNK2A2CSNK2A1RPS6KB1AKT1
SCHEMBL12639001 0.76 KDM4E (0.56) KDM4EMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 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 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-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-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 US disclosed
US-20080132545-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-05 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-20080132545-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 ROCK2 68/4885CDC7 1687/4885MAP4K4 1233/4885

“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.