SCHEMBL1880692

SCHEMBL1880692

C/C=C/c1nc(NCCc2cccc(F)c2)c(N(C=O)Cc2cccnc2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.36
PKM P14618 1/20 0.35
PGK1 P00558 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CCNT1 O60563 1/20 0.34
CTSL P07711 1/20 0.34
NR1D1 P20393 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1882016 0.88 GBA1 (0.43) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1884408 0.84 GBA1 (0.44) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1629849 0.84 GBA1 (0.42) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1859110 0.83 GBA1 (0.39) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1875185 0.83 GBA1 (0.44) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1632669 0.82 GBA1 (0.39) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1630536 0.82 CCNT1 (0.41) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1631587 0.81 GBA1 (0.41) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1632521 0.81 GBA1 (0.40) GBA1OPRM1OPRD1CSNK2A1CSNK2A2
SCHEMBL1630351 0.81 GBA1 (0.42) GBA1OPRM1OPRD1CSNK2A1CSNK2A2

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 4031/4885OPRM1 1013/4885OPRD1 3277/4885

“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.