SCHEMBL4605078

SCHEMBL4605078

O=C(NCc1ccccc1)Nc1cccc(-c2nc(-c3cccc(CO)c3)cc(N3CCOCC3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.53
MTOR P42345 9/20 0.53
PIK3R1 P27986 3/20 0.53
PIK3CG P48736 5/20 0.50
PIK3CD O00329 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PIK3CB P42338 3/20 0.48
CNR1 P21554 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL4604317 0.85 PIK3CA (0.51) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL4605158 0.85 PIK3CA (0.55) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL4941085 0.82 PIK3CA (0.61) PIK3CAMTORPIK3CGPIK3CDMAPT
SCHEMBL4938348 0.82 PIK3CA (0.63) PIK3CAMTORPIK3CGPIK3CDMAPT
SCHEMBL4932980 0.82 NPC1 (0.54) PIK3CAMTORPIK3CGPIK3CDNPC1
SCHEMBL30599041 0.82 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL4603511 0.82 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CD
SCHEMBL4603463 0.82 NPC1 (0.54) PIK3CAMTORPIK3CGPIK3CDNPC1
SCHEMBL4938088 0.82 PIK3CA (0.54) PIK3CAMTORPIK3CGPIK3CDNPC1
SCHEMBL4931004 0.82 PIK3CA (0.52) PIK3CAMTORPIK3R1PIK3CGPIK3CD

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 4 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
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 1/4885MTOR 288/4885PIK3R1 44/4885

“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.