SCHEMBL1884307

SCHEMBL1884307

O=CN(Cc1cccnc1)c1cccnc1NCCc1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.46
KDM4E B2RXH2 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CCNT1 O60563 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RPS6KB1 P23443 1/20 0.38
AKT1 P31749 1/20 0.38
CDK9 P50750 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL1632160 0.85 GBA1 (0.49) GBA1MAPTPKMCSNK2A2CSNK2A1
SCHEMBL1876929 0.85 GBA1 (0.44) GBA1PKMCSNK2A2CSNK2A1CCNT1
SCHEMBL1875803 0.85 GBA1 (0.44) GBA1PKMCSNK2A2CSNK2A1CCNT1
SCHEMBL1875650 0.85 CCNT1 (0.47) GBA1KDM4EL3MBTL1KMT2APKM
SCHEMBL1631784 0.84 GBA1 (0.52) GBA1KDM4EL3MBTL1MEN1MAPT
SCHEMBL1884408 0.84 GBA1 (0.44) GBA1KDM4EL3MBTL1MEN1MAPT
SCHEMBL1875185 0.84 GBA1 (0.44) GBA1KDM4EL3MBTL1MEN1MAPT
SCHEMBL1632672 0.84 GBA1 (0.48) GBA1PKMCSNK2A2CSNK2A1CCNT1
SCHEMBL1884432 0.84 KDM4E (0.48) GBA1KDM4EL3MBTL1MEN1MAPT
SCHEMBL1881981 0.84 GBA1 (0.43) GBA1KDM4EL3MBTL1MEN1MAPT

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 GBA1 4031/4885KDM4E 3309/4885L3MBTL1 4674/4885

“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.