SCHEMBL10081098

SCHEMBL10081098

Cc1cncc(-c2ccc3nc(Nc4cnn(CC(=O)O)c4)sc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.58
PIK3CA P42336 9/20 0.43
PIK3CD O00329 2/20 0.43
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL10081096 0.92 PIK3CG (0.57) PIK3CGPIK3CAPIK3CD
SCHEMBL10081095 0.88 PIK3CG (0.55) PIK3CGPIK3CAPIK3CDNPC1RAB9A
SCHEMBL10084973 0.86 PIK3CD (0.57) PIK3CGPIK3CAPIK3CD
SCHEMBL10081097 0.83 PIK3CG (0.51) PIK3CGPIK3CAPIK3CDNPC1RAB9A
SCHEMBL10081090 0.82 PIK3CG (0.58) PIK3CGPIK3CAPIK3CDNPC1RAB9A
SCHEMBL12342693 0.82 PIK3CG (0.49) PIK3CGPIK3CAPIK3CDABL1
SCHEMBL10084742 0.80 PIK3CD (0.58) PIK3CGPIK3CAPIK3CD
SCHEMBL10081159 0.79 PIK3CG (0.64) PIK3CGPIK3CANPC1RAB9AABL1
SCHEMBL10081099 0.78 PIK3CG (0.46) PIK3CGPIK3CAPIK3CDNPC1POLB
SCHEMBL10081089 0.77 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDNPC1RAB9A

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.