SCHEMBL4602973

SCHEMBL4602973

CC(=O)Nc1cccc(-c2nc(-c3cccc(O)c3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.65
PIK3CB P42338 3/20 0.65
PIK3CG P48736 3/20 0.65
FYN P06241 1/20 0.55
BRAF P15056 1/20 0.55
PIK3CD O00329 1/20 0.54
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PIK3C2B O00750 1/20 0.51
PRKDC P78527 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
SCHEMBL1262569 0.85 PIK3C2B (0.54) PIK3CABRAFMAPTNPC1RAB9A
SCHEMBL4604862 0.84 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDMAPT
SCHEMBL1262898 0.84 MTOR (0.52) PIK3CAPIK3CBPIK3CGBRAFMAPT
SCHEMBL4936958 0.81 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGPIK3CDNPC1
SCHEMBL1311325 0.81 PIK3CA (0.64) PIK3CAPIK3CGBRAFMAPTPIK3C2B
SCHEMBL4604848 0.80 ITGA2B (0.49) PIK3CAPIK3CBPIK3CGBRAFMAPT
SCHEMBL15299524 0.79 PIK3CA (1.00) PIK3CAPIK3CBPIK3CGPIK3CDMAPT
SCHEMBL4937383 0.78 PIK3CA (0.48) PIK3CAPIK3CBPIK3CG
SCHEMBL4605158 0.76 PIK3CA (0.55) PIK3CAPIK3CBPIK3CGPIK3CDMAPT
SCHEMBL4138246 0.76 PIK3CA (0.67) PIK3CAPIK3CBPIK3CGPIK3CDMAPT

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
EP-1768978-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-07-09 EP disclosed
US-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA AB (SE) 2008-03-06 US disclosed
CN-101014590-A 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-08 CN disclosed
EP-1768978-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-04 EP disclosed
WO-2006005914-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-01-19 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-20080058332-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, TYMP, PIK3CB PIK3CA 1/4885PIK3CB 3/4885PIK3CG 5/4885

“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.