SCHEMBL188830

SCHEMBL188830

COc1cncc(-c2ccc3nc(N)sc3c2)c1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.75
PIK3CG P48736 13/20 0.75
PI4KA P42356 13/20 0.75
PI4KB Q9UBF8 13/20 0.75
PIK3CD O00329 12/20 0.75
PIK3CB P42338 11/20 0.75
PIP5K1C O60331 4/20 0.75
ALKBH5 Q6P6C2 1/20 0.64
FTO Q9C0B1 1/20 0.64
CYP3A4 P08684 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 1/20 0.62
CYP2C9 P11712 1/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL3718112 0.86 PIK3CA (0.70) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL3710766 0.85 PIK3CA (0.68) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL17969354 0.85 PIK3CG (0.63) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL13862776 0.84 CYP3A4 (0.77) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL31114769 0.84 CYP3A4 (0.77) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL12543471 0.82 PI4KA (0.66) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL17969343 0.81 PIK3CG (0.61) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL3708442 0.81 PIK3CA (0.65) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL10081070 0.80 PIK3CG (0.64) PIK3CAPIK3CGPI4KAPI4KBPIK3CD
SCHEMBL25303323 0.79 PI4KA (0.72) PIK3CAPIK3CGPI4KAPI4KBPIK3CD

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143843-B Metal complex with FTO inhibition activity and preparation method and application thereof 南京师范大学 2024-12-20 CN disclosed
CN-116143843-A Metal complex with FTO inhibition activity and preparation method and application thereof 南京师范大学 2023-05-23 CN disclosed
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-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
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
EP-2401273-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2012-01-04 EP disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 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 PIK3CA 1/4885PIK3CG 3/4885PI4KA 8/4885

“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.