SCHEMBL10081069

SCHEMBL10081069

COc1cncc(-c2ccc3nc(Nc4ccc(NC(C)=O)cc4)sc3c2)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.81
PIK3CA P42336 9/20 0.67
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
AKT1 P31749 1/20 0.61
MTOR P42345 1/20 0.61
PIK3CD O00329 1/20 0.58
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.55
DYRK1A Q13627 1/20 0.55

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
SCHEMBL10081031 0.91 PIK3CG (0.76) PIK3CGPIK3CAHTTKDM4EMEN1
SCHEMBL10081027 0.90 PIK3CG (0.71) PIK3CGPIK3CAHTTKDM4EMEN1
SCHEMBL13188283 0.90 PIK3CG (1.00) PIK3CGPIK3CAHTTAKT1MTOR
SCHEMBL10081075 0.88 MEN1 (0.69) PIK3CGPIK3CAHTTMEN1ALDH1A1
SCHEMBL10081066 0.88 PIK3CG (0.68) PIK3CGPIK3CAHTTKDM4EMEN1
SCHEMBL10081071 0.88 PIK3CG (0.67) PIK3CGPIK3CAHTTMEN1ALDH1A1
SCHEMBL10081148 0.87 PIK3CG (0.67) PIK3CGPIK3CAHTTKDM4EMEN1
SCHEMBL10081050 0.87 PIK3CG (0.66) PIK3CGPIK3CAHTTKDM4EMEN1
SCHEMBL10081045 0.86 PIK3CG (0.65) PIK3CGPIK3CAHTTMEN1ALDH1A1
SCHEMBL10081070 0.85 PIK3CG (0.64) PIK3CGPIK3CAHTTMEN1ALDH1A1

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 1/4885HTT 1673/4885

“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.