SCHEMBL4932069

SCHEMBL4932069

O=C(Nc1ccc(F)c(-c2cc(N3CCOCC3)nc(-c3cccc(O)c3)n2)c1)C1CCCNC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.48
PIK3CG P48736 4/20 0.47
PIK3CB P42338 3/20 0.47
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
SHMT2 P34897 2/20 0.43
GBA1 P04062 2/20 0.42
GLA P06280 1/20 0.42
RAF1 P04049 3/20 0.42
PIK3CD O00329 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MTOR P42345 1/20 0.40
BRAF P15056 2/20 0.40
F10 P00742 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 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
SCHEMBL4937769 0.91 MTOR (0.45) PIK3CAPIK3CGJAK2JAK3SHMT2
SCHEMBL4936958 0.89 PIK3CA (0.54) PIK3CAPIK3CGPIK3CBJAK2JAK3
SCHEMBL4937560 0.81 JAK2 (0.42) PIK3CAPIK3CGPIK3CBJAK2JAK3
SCHEMBL4604862 0.80 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBGBA1PIK3CD
SCHEMBL4937545 0.80 JAK2 (0.51) PIK3CAPIK3CGPIK3CBJAK2JAK3
SCHEMBL4930763 0.80 PIK3CA (0.48) PIK3CAPIK3CGPIK3CBJAK2JAK3
SCHEMBL4940879 0.78 PIK3CA (0.45) PIK3CAPIK3CGPIK3CBJAK2JAK3
SCHEMBL1262413 0.77 JAK2 (0.47) PIK3CAPIK3CBJAK2JAK3SHMT2
SCHEMBL4933820 0.76 PIK3CA (0.64) PIK3CAPIK3CGPIK3CBPIK3CDMAPT
SCHEMBL1263357 0.76 ATR (0.48) JAK2JAK3SHMT2GBA1GLA

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 1/4885PIK3CG 5/4885PIK3CB 3/4885

“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.