SCHEMBL10081053

SCHEMBL10081053

COc1cc(C)cc(Nc2nc3ccc(-c4cncc(OC)c4)cc3s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.62
PIK3CA P42336 11/20 0.59
PIK3CD O00329 2/20 0.54
MEN1 O00255 3/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
PDE10A Q9Y233 1/20 0.48
PIP5K1C O60331 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PI4KB Q9UBF8 1/20 0.47

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
SCHEMBL10081032 0.96 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081033 0.93 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081038 0.91 PIK3CG (0.59) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081045 0.89 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081143 0.88 PIK3CG (0.61) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081075 0.87 MEN1 (0.69) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081052 0.86 MEN1 (0.71) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081025 0.86 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10084864 0.86 PIK3CG (0.58) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081021 0.86 NPC1 (0.68) 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 2 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-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 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-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.