SCHEMBL10697457

SCHEMBL10697457

CC(=O)Nc1nc(C)c(-c2cccnc2)s1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.71
PIK3CA P42336 12/20 0.71
PIK3CD O00329 8/20 0.61
PIK3CB P42338 8/20 0.61
ATAD2 Q6PL18 1/20 0.57
XIAP P98170 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL1889178 0.86 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDPIK3CBATAD2
SCHEMBL12002638 0.85 PIK3CG (0.66) PIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL12992093 0.84 PIK3CG (0.74) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL12991601 0.83 PIK3CG (0.56) PIK3CGPIK3CAATAD2CYP1A2
SCHEMBL10670937 0.83 PIK3CG (0.72) PIK3CGPIK3CAPIK3CDPIK3CBXIAP
SCHEMBL14364244 0.83 KDM4E (0.55) PIK3CGPIK3CAPIK3CDPIK3CBATAD2
SCHEMBL6545803 0.83 ADORA3 (0.67) PIK3CGPIK3CAATAD2
SCHEMBL10667929 0.83 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIK3CBATAD2
SCHEMBL5051369 0.82 GAA (0.59) PIK3CGPIK3CAATAD2XIAPCYP1A2
SCHEMBL6546496 0.82 ALDH1A1 (0.66) PIK3CGPIK3CAATAD2XIAPCYP1A2

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-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
WO-2010144513-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-16 WO disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 EP 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 PIK3CG 2/4885PIK3CA 1/4885PIK3CD 3/4885

“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.