SCHEMBL10081014

SCHEMBL10081014

CCOc1ncc(-c2ccc3nc(Nc4cccnc4)sc3n2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.48
PIK3CA P42336 2/20 0.48
PIK3CG P48736 2/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.48
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDE10A Q9Y233 2/20 0.39
ABL1 P00519 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL10081017 0.94 MEN1 (0.42) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10081015 0.92 PIK3CG (0.55) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10081140 0.92 MEN1 (0.46) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10081012 0.86 PIK3CG (0.38) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10081141 0.85 MEN1 (0.42) PIK3CAMEN1KMT2AMAPTADORA3
SCHEMBL10081016 0.85 PIK3CG (0.48) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10081136 0.83 MEN1 (0.46) PIK3CDPIK3CAPIK3CGMEN1KMT2A
SCHEMBL10080973 0.81 PDE10A (0.50) PIK3CAPIK3CGMEN1KMT2AMAPT
SCHEMBL10080998 0.80 LCK (0.38) PIK3CAMEN1KMT2AMAPTADORA3
SCHEMBL10081011 0.78 PIK3CG (0.44) PIK3CDPIK3CAPIK3CGMEN1KMT2A

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 3 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
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 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 3/4885

“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.