SCHEMBL10081025

SCHEMBL10081025

COc1cncc(-c2ccc3nc(Nc4ccc(F)cc4)sc3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 12/20 0.64
▸ PIK3CA P42336 8/20 0.60
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ MAPT P10636 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ PIK3CD O00329 2/20 0.54
▸ PDE10A Q9Y233 1/20 0.54
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ PIP5K1C O60331 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PI4KA P42356 1/20 0.48

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) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081045 0.90 PIK3CG (0.65) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081033 0.90 PIK3CG (0.67) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081070 0.89 PIK3CG (0.64) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081071 0.89 PIK3CG (0.67) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081021 0.89 NPC1 (0.68) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081038 0.88 PIK3CG (0.59) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081024 0.87 PIK3CG (0.61) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081042 0.87 PIK3CG (0.64) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL10081023 0.87 PIK3CG (0.61) PIK3CGPIK3CANPC1RAB9ASMN1; SMN2

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 1/4885NPC1 1406/4885

“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.

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