SCHEMBL4937545

SCHEMBL4937545

O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1)C1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
PIK3CA P42336 14/20 0.48
MTOR P42345 10/20 0.48
PIK3CG P48736 7/20 0.46
F10 P00742 1/20 0.43
PIK3CB P42338 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIK3R1 P27986 2/20 0.42
PIK3CD O00329 2/20 0.42
GBA1 P04062 1/20 0.42
GLA P06280 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4930763 0.94 PIK3CA (0.48) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL5182755 0.93 PIK3CA (0.45) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL4937769 0.90 MTOR (0.45) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL4940879 0.89 PIK3CA (0.45) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL5172345 0.88 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4938601 0.88 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4936144 0.86 PIK3CA (0.51) JAK2JAK3PIK3CAMTORPIK3CG
SCHEMBL4603008 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4938514 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CBMAPT
SCHEMBL4936958 0.83 PIK3CA (0.54) JAK2JAK3PIK3CAMTORPIK3CG

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 JAK2 215/4885JAK3 469/4885PIK3CA 1/4885

“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.