SCHEMBL10080995

SCHEMBL10080995

COc1cc(-c2ccc3nc(Nc4ccccn4)sc3c2)cnc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.64
PIK3CA P42336 3/20 0.50
PIK3CD O00329 2/20 0.50
MEN1 O00255 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 4/20 0.49
LCK P06239 2/20 0.46
MAPT P10636 3/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GFER P55789 1/20 0.45
EGFR P00533 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SLC2A1 P11166 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
SCHEMBL10080975 0.89 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081010 0.89 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10080996 0.87 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081009 0.87 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10080990 0.87 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081135 0.86 PIK3CG (0.67) PIK3CGPIK3CAMEN1NPC1RAB9A
SCHEMBL10080999 0.84 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10080991 0.84 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081006 0.83 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10080997 0.83 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG PIK3CG 3/4885PIK3CA 1/4885PIK3CD 2/4885

“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.