SCHEMBL1885463

SCHEMBL1885463

Cn1cc(-c2cnc(NCCc3cccc(F)c3)c(C(=O)NCc3cccc(CN)n3)c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.52
MAPK1 P28482 7/20 0.51
PDPK1 O15530 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AXL P30530 1/20 0.47
MERTK Q12866 1/20 0.47
NTRK1 P04629 2/20 0.41
EP300 Q09472 1/20 0.41
YES1 P07947 1/20 0.41
PIM1 P11309 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL1629533 0.88 MAPK1 (0.47) METMAPK1PDPK1RPS6KB1AXL
SCHEMBL1631278 0.88 MAPK1 (0.43) METMAPK1PDPK1RPS6KB1AXL
SCHEMBL1885154 0.86 ROCK2 (0.44) PDPK1RPS6KB1PIM1
SCHEMBL1884248 0.85 GBA1 (0.47) PDPK1RPS6KB1
SCHEMBL1880742 0.83 RPS6KB1 (0.42) RPS6KB1
SCHEMBL1880608 0.83 KDM4E (0.46) PDPK1RPS6KB1
SCHEMBL1885359 0.81 HIF1A (0.40) RPS6KB1
SCHEMBL1629804 0.78 MAPK1 (0.44) METMAPK1PDPK1RPS6KB1AXL
SCHEMBL1632812 0.78 MET (0.47) METMAPK1PDPK1RPS6KB1AXL
SCHEMBL1630111 0.78 PDPK1 (0.44) METMAPK1PDPK1RPS6KB1AXL

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 MET 1895/4885MAPK1 2764/4885PDPK1 1546/4885

“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.