SCHEMBL1630653

SCHEMBL1630653

NC(=O)C(c1cccnc1)c1ccc(-c2ccsc2)nc1NCCc1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40
JAK3 P52333 1/20 0.36
CHRNA7 P36544 4/20 0.35
SYK P43405 2/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPY1R P25929 1/20 0.34
HIF1A Q16665 1/20 0.34
HDAC1 Q13547 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PDE10A Q9Y233 1/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 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
SCHEMBL1630995 0.90 GBA1 (0.48) GBA1JAK3MAPTALDH1A1KDM4E
SCHEMBL1632189 0.87 GBA1 (0.42) GBA1JAK3MAPTALDH1A1KDM4E
SCHEMBL1631717 0.87 KDM4E (0.42) GBA1JAK3SYKALDH1A1KDM4E
SCHEMBL1631004 0.87 GBA1 (0.43) GBA1JAK3SYKHIF1AHTT
SCHEMBL1631445 0.87 GBA1 (0.41) GBA1JAK3SYKMAPTALDH1A1
SCHEMBL1630889 0.86 HIF1A (0.41) GBA1JAK3MAPTALDH1A1KDM4E
SCHEMBL1630466 0.86 NTRK3 (0.40) GBA1JAK3SYKMAPTALDH1A1
SCHEMBL1632598 0.86 GBA1 (0.41) GBA1JAK3SYKMAPTALDH1A1
SCHEMBL1632440 0.86 GBA1 (0.41) GBA1JAK3MAPTALDH1A1KDM4E
SCHEMBL1632187 0.86 GBA1 (0.39) GBA1JAK3MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US claimed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 US claimed
US-7932270-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2011-04-26 US disclosed
US-20090012126-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-01-08 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-20090012126-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 GBA1 4031/4885JAK3 2915/4885CHRNA7 246/4885

“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.