SCHEMBL1262425

SCHEMBL1262425

O=C(Nc1cccc(-c2nc(-c3ccc(CO)s3)cc(N3CCOCC3)n2)c1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA2B P08514 1/20 0.51
GBA1 P04062 4/20 0.43
PIK3CA P42336 7/20 0.42
PIK3CG P48736 5/20 0.42
MTOR P42345 3/20 0.42
DYRK1A Q13627 1/20 0.42
GLA P06280 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PIK3CB P42338 2/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
PIK3CD O00329 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL4603008 0.87 PIK3CA (0.53) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL4938514 0.87 PIK3CA (0.53) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL1263685 0.86 PTPN1 (0.45) GBA1PIK3CAPIK3CGMTORGLA
SCHEMBL1263343 0.85 ITGA2B (0.49) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL4604862 0.84 PIK3CA (0.58) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL4604545 0.83 PIK3CA (0.51) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL4604848 0.82 ITGA2B (0.49) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL27701932 0.81 ITGA2B (0.41) ITGA2B
SCHEMBL4930763 0.79 PIK3CA (0.48) ITGA2BGBA1PIK3CAPIK3CGMTOR
SCHEMBL1264089 0.79 ITGA2B (0.44) ITGA2BGBA1PIK3CAPIK3CGGLA

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
US-7893063-B2 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2011-02-22 US disclosed
US-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer ASTRAZENECA UK LIMITED (GB) 2009-06-04 US disclosed
CN-101010318-A 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-01 CN disclosed
EP-1773824-A1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2007-04-18 EP disclosed
WO-2006005915-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-20090143384-A1 2,4,6-Trisubstituted Pyrimidines as Phosphotidylinositol (Pi) 3-Kinase Inhibitors and Their Use in the Treatment of Cancer PIK3CA, PIK3CB, TYMP ITGA2B 1882/4885GBA1 2705/4885PIK3CA 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.