SCHEMBL1629670

SCHEMBL1629670

Cc1cscc1-c1ccc(C(C(N)=O)c2cccnc2)c(NCCc2ccccn2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
JAK3 P52333 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 8/20 0.35
PIK3CD O00329 1/20 0.35
PRSS1 P07477 1/20 0.35
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA2B P29275 3/20 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
SCHEMBL1631308 0.90 GBA1 (0.39) GBA1SMN1; SMN2HTTRAB9AJAK3
SCHEMBL1631138 0.88 PIK3CD (0.39) GBA1SMN1; SMN2HTTRAB9AJAK3
SCHEMBL1632773 0.87 SMN1; SMN2 (0.46) GBA1SMN1; SMN2RAB9AJAK3KDM4E
SCHEMBL1629522 0.87 SMN1; SMN2 (0.39) GBA1SMN1; SMN2JAK3ALDH1A1F2
SCHEMBL1629838 0.86 GBA1 (0.40) GBA1RAB9AJAK3ALDH1A1F2
SCHEMBL1630653 0.85 GBA1 (0.40) GBA1SMN1; SMN2HTTRAB9AJAK3
SCHEMBL1629987 0.85 GBA1 (0.38) GBA1SMN1; SMN2RAB9AJAK3KDM4E
SCHEMBL1631782 0.85 SMN1; SMN2 (0.43) GBA1SMN1; SMN2RAB9AJAK3KDM4E
SCHEMBL1632209 0.85 ALDH1A1 (0.40) GBA1SMN1; SMN2RAB9AJAK3KDM4E
SCHEMBL1631445 0.85 GBA1 (0.41) GBA1SMN1; SMN2HTTRAB9AJAK3

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 4031/4885SMN1; SMN2 328/4885HTT 1911/4885

“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.