SCHEMBL4604545

SCHEMBL4604545

O=C(Nc1cccc(-c2nc(-c3ccc(Cl)c(CO)c3)cc(N3CCOCC3)n2)c1)C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.51
ITGA2B P08514 1/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MTOR P42345 4/20 0.42
GBA1 P04062 1/20 0.42
PIK3CG P48736 3/20 0.42
PIK3CB P42338 2/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL4603008 0.88 PIK3CA (0.53) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL4938514 0.88 PIK3CA (0.53) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL4604862 0.85 PIK3CA (0.58) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL1262425 0.83 ITGA2B (0.51) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL4604848 0.83 ITGA2B (0.49) PIK3CAITGA2BMTORGBA1PIK3CG
SCHEMBL1263343 0.83 ITGA2B (0.49) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL27685980 0.81 F10 (0.39)
SCHEMBL4930763 0.80 PIK3CA (0.48) PIK3CAITGA2BNPC1RAB9AMTOR
SCHEMBL4604242 0.79 PIK3CA (0.53) PIK3CANPC1RAB9AMTORGBA1
SCHEMBL4941066 0.79 PIK3CA (0.50) PIK3CAMTORGBA1PIK3CGPIK3CB

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
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
CN-101014590-A 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer ASTRAZENECA AB (SE) 2007-08-08 CN 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 1/4885ITGA2B 2965/4885NPC1 4115/4885

“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.