SCHEMBL1093636

SCHEMBL1093636

Nc1cc(-c2nc(-c3cccc(O)c3)nc3ccsc23)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.49
MTOR P42345 2/20 0.49
PIK3CG P48736 4/20 0.48
PIK3CB P42338 2/20 0.48
PIK3C2B O00750 1/20 0.48
CCNE2 O96020 1/20 0.48
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK2 P24941 1/20 0.48
KDR P35968 1/20 0.48
CYP19A1 P11511 1/20 0.43
PIK3CD O00329 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
HSD17B1 P14061 5/20 0.37
HSD17B2 P37059 5/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAPK14 Q16539 1/20 0.36

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
SCHEMBL1093172 0.87 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093085 0.86 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093523 0.86 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093962 0.84 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093037 0.84 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1092766 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093484 0.84 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL17473689 0.82 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1092750 0.82 PIK3CA (0.49) PIK3CAMTORPIK3CGPIK3CBPIK3C2B
SCHEMBL1093919 0.80 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CBPIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035431-B1 THIENO[3,2-D]PYRIMIDINES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE FOR THE TREATMENT OF CANCER DISEASES HOFFMANN LA ROCHE (CH) 2016-02-03 EP claimed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US claimed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US claimed
EP-2035431-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP claimed
WO-2007132171-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-22 WO claimed
EP-2035431-B1 THIENO[3,2-D]PYRIMIDINES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE FOR THE TREATMENT OF CANCER DISEASES HOFFMANN LA ROCHE (CH) 2016-02-03 EP disclosed
EP-2035431-B1 THIENO[3,2-D]PYRIMIDINES AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3-KINASE FOR THE TREATMENT OF CANCER DISEASES HOFFMANN LA ROCHE (CH) 2016-02-03 EP disclosed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-8153639-B2 kinase inhibitor; immunotherapy; viricides; function or behavior associated with PI3 kinase such as cancer, immune, cardiovascular, nervous system, metabolism/endocrine and neurological diseases, viral infection, inflammation; 3-(4-Pyridin-4-yl-thieno[3,2-d]pyrimidin-2-yl)-phenol F. HOFFMAN-LA ROCHE AG (CH) 2012-04-10 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-20090209559-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
EP-2035431-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2009-03-18 EP disclosed
WO-2007132171-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2007-11-22 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-20090209559-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3CD PIK3CA 1/4885MTOR 16/4885PIK3CG 11/4885

“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.