SCHEMBL13004693

SCHEMBL13004693

CC(=O)Nc1nc(C)c(C#Cc2cccc(C)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
DYRK1A Q13627 3/20 0.47
GRM5 P41594 2/20 0.46
PIK3CG P48736 6/20 0.45
LCK P06239 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41

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
SCHEMBL12992020 0.88 CLK1 (0.47) DYRK1AGRM5PIK3CGPIK3CDPIK3CA
SCHEMBL13004708 0.88 DYRK1A (0.47) DYRK1AGRM5PIK3CGPIK3CDPIK3CA
SCHEMBL13004683 0.87 PIK3CG (0.51) SMN1; SMN2RAB9ANPC1DYRK1AGRM5
SCHEMBL12991135 0.86 MAOB (0.50) SMN1; SMN2RAB9ANPC1DYRK1AGRM5
SCHEMBL1702811 0.81 GRM5 (0.62) GRM5PIK3CGPIK3CA
SCHEMBL13004673 0.81 PIK3CG (0.65) GRM5PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13004691 0.80 PIK3CG (0.49) SMN1; SMN2RAB9ADYRK1APIK3CGKDM4E
SCHEMBL13004689 0.79 PIK3CG (0.46) GRM5PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL12991813 0.78 MAPT (0.53) SMN1; SMN2RAB9ANPC1DYRK1APIK3CG
SCHEMBL12991566 0.77 ADORA1 (0.46) RAB9ANPC1DYRK1APIK3CGLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344153-B2 Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 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-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CG, PIK3CD SMN1; SMN2 1738/4885RAB9A 973/4885NPC1 1021/4885

“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.