SCHEMBL4931017

SCHEMBL4931017

O=C(COC1CCNCC1)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.47
MTOR P42345 10/20 0.47
PIK3CG P48736 7/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PIK3CB P42338 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CD O00329 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MOK Q9UQ07 1/20 0.41
CETP P11597 1/20 0.40
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL4603396 0.94 PIK3CA (0.47) PIK3CAMTORPIK3CGNPC1RAB9A
SCHEMBL4939540 0.94 PIK3CA (0.47) PIK3CAMTORPIK3CGNPC1RAB9A
SCHEMBL4938601 0.83 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL5172345 0.83 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4936144 0.83 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4937799 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4603008 0.81 PIK3CA (0.53) PIK3CAMTORPIK3CGNPC1RAB9A
SCHEMBL4938514 0.81 PIK3CA (0.53) PIK3CAMTORPIK3CGNPC1RAB9A
SCHEMBL4937545 0.81 JAK2 (0.51) PIK3CAMTORPIK3CGPIK3CBPIK3R1
SCHEMBL4936053 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CBPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051401-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PASS MARTIN 2008-02-28 US disclosed
EP-1778681-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006005918-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-20080051401-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 288/4885PIK3CG 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.