SCHEMBL10080975

SCHEMBL10080975

COc1cc(-c2ccc3nc(Nc4cnccn4)sc3c2)cnc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.65
PIK3CA P42336 3/20 0.51
LCK P06239 2/20 0.48
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
ABL1 P00519 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
GFER P55789 1/20 0.43
PIK3CD O00329 1/20 0.43
ALKBH5 Q6P6C2 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
SCHEMBL10080979 0.92 PIK3CG (0.56) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10080987 0.92 PIK3CG (0.56) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10080977 0.92 PIK3CG (0.56) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10081000 0.91 PIK3CG (0.53) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10080988 0.90 PIK3CG (0.64) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10080995 0.89 PIK3CG (0.64) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10081004 0.88 PIK3CG (0.66) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10080996 0.88 PIK3CG (0.63) PIK3CGPIK3CALCKMAPTSMN1; SMN2
SCHEMBL10081006 0.88 PIK3CG (0.63) PIK3CGPIK3CAMAPTSMN1; SMN2MEN1
SCHEMBL10080997 0.88 PIK3CG (0.63) PIK3CGPIK3CAMAPTSMN1; SMN2MEN1

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 1/4885LCK 207/4885

“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.