SCHEMBL10081024

SCHEMBL10081024

COc1cncc(-c2ccc3nc(Nc4ccc(OC(C)C)cc4)sc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 12/20 0.61
PIK3CA P42336 10/20 0.60
PIK3CD O00329 2/20 0.60
PIP5K1C O60331 1/20 0.60
PIK3CB P42338 1/20 0.60
PI4KA P42356 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
MEN1 O00255 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 4/20 0.59
PDE10A Q9Y233 1/20 0.55
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 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
SCHEMBL10081075 0.92 MEN1 (0.69) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081023 0.90 PIK3CG (0.61) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081047 0.89 MEN1 (0.61) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081045 0.88 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081025 0.87 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081070 0.87 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081071 0.87 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081021 0.87 NPC1 (0.68) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB
SCHEMBL10081068 0.87 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDMEN1NPC1
SCHEMBL10081033 0.86 PIK3CG (0.67) PIK3CGPIK3CAPIK3CDPIP5K1CPIK3CB

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-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.