SCHEMBL1887474

SCHEMBL1887474

O=CN(Cc1ccccn1)c1cc(Br)c(Cl)nc1NCCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
GBA1 P04062 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CXCR3 P49682 1/20 0.35
CDK9 P50750 1/20 0.35
GPR84 Q9NQS5 1/20 0.34
LMNA P02545 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2A1 P68400 2/20 0.34
NOS1 P29475 2/20 0.33
F2 P00734 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TBK1 Q9UHD2 1/20 0.32

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
SCHEMBL1888574 0.85 KDM4E (0.53) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL1887405 0.80 KDM4E (0.51) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL1630998 0.80 KDM4E (0.43) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL4179062 0.77 KDM4E (0.43) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL1629932 0.77 KDM4E (0.43) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL1631141 0.77 KDM4E (0.43) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL12638990 0.77 KDM4E (0.51) KDM4EMAPTKMT2AMEN1L3MBTL1
SCHEMBL1885720 0.75 KDM4E (0.39) KDM4EGBA1KMT2AMEN1CSNK2A2
SCHEMBL1884432 0.74 KDM4E (0.48) KDM4EGBA1MAPTKMT2AMEN1
SCHEMBL1857750 0.73 GBA1 (0.42) GBA1MAPTKMT2ACDK9CSNK2A2

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 3 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-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 KDM4E 3309/4885GBA1 4031/4885MAPT 540/4885

“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.