SCHEMBL1702811

SCHEMBL1702811

CC(=O)Nc1nc(C)c(C#Cc2cccnc2)s1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.62
PIK3CG P48736 15/20 0.54
PIK3CA P42336 5/20 0.54
CYP2C9 P11712 1/20 0.54
PRKDC P78527 1/20 0.54
KCNH2 Q12809 1/20 0.54
CYP2A6 P11509 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL13004683 0.86 PIK3CG (0.51) GRM5PIK3CGPIK3CA
SCHEMBL13004673 0.85 PIK3CG (0.65) GRM5PIK3CGPIK3CA
SCHEMBL3773164 0.83 PIK3CG (0.53) GRM5PIK3CGPIK3CACYP2C9PRKDC
SCHEMBL13004693 0.81 SMN1; SMN2 (0.47) GRM5PIK3CGPIK3CA
SCHEMBL13004708 0.80 DYRK1A (0.47) GRM5PIK3CGPIK3CACYP2C9PRKDC
SCHEMBL12992020 0.80 CLK1 (0.47) GRM5PIK3CGPIK3CA
SCHEMBL12992330 0.80 PIK3CG (0.49) PIK3CGPIK3CACYP2C9PRKDC
SCHEMBL1702659 0.79 PIK3CG (0.64) PIK3CGPIK3CACYP2C9PRKDCKCNH2
SCHEMBL13004691 0.79 PIK3CG (0.49) PIK3CGPIK3CA
SCHEMBL13004677 0.78 PIK3CG (0.50) GRM5PIK3CGPIK3CACYP2C9PRKDC

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 7 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-8344153-B2 Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
CN-102548990-A Inhibitors of phosphatidylinositol 3-kinase VERTEX PHARMA 2012-07-04 CN disclosed
EP-2440556-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2012-04-18 EP disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 US disclosed
US-20100316605-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 US disclosed
WO-2010144513-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 WO 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 GRM5 2543/4885PIK3CG 2/4885PIK3CA 1/4885

“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.