SCHEMBL1629522

SCHEMBL1629522

Cc1ccc(C)c(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3ccccn3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 7/20 0.37
GBA1 P04062 1/20 0.37
PIK3CD O00329 1/20 0.37
JAK3 P52333 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PRSS1 P07477 1/20 0.35
CTNNB1 P35222 2/20 0.35
TCF7L2 Q9NQB0 2/20 0.35
ADRB3 P13945 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
SYK P43405 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL1632773 0.94 SMN1; SMN2 (0.46) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1631308 0.92 GBA1 (0.39) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1631445 0.89 GBA1 (0.41) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1632360 0.88 GBA1 (0.41) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1631138 0.88 PIK3CD (0.39) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1630280 0.88 GBA1 (0.40) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1632598 0.88 GBA1 (0.41) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1629670 0.87 GBA1 (0.37) SMN1; SMN2F2GBA1PIK3CDJAK3
SCHEMBL1629838 0.86 GBA1 (0.40) F2GBA1JAK3KMT2AALDH1A1
SCHEMBL1631782 0.85 SMN1; SMN2 (0.43) SMN1; SMN2F2GBA1JAK3KMT2A

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-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 SMN1; SMN2 328/4885F2 2588/4885GBA1 4031/4885

“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.