SCHEMBL4604848

SCHEMBL4604848

CC(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(NC(=O)C4CCNCC4)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA2B P08514 1/20 0.49
GBA1 P04062 3/20 0.49
MOK Q9UQ07 2/20 0.49
JAK2 O60674 2/20 0.48
JAK3 P52333 1/20 0.48
BRAF P15056 1/20 0.47
PIK3CA P42336 5/20 0.47
PIK3C2B O00750 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GLA P06280 1/20 0.47
PIP5K1C O60331 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4604862 0.87 PIK3CA (0.58) ITGA2BGBA1PIK3CAMAPTHSD17B10
SCHEMBL4603008 0.85 PIK3CA (0.53) ITGA2BGBA1PIK3CAMAPTGLA
SCHEMBL4938514 0.85 PIK3CA (0.53) ITGA2BGBA1PIK3CAMAPTGLA
SCHEMBL4604545 0.83 PIK3CA (0.51) ITGA2BGBA1PIK3CAMAPTHSD17B10
SCHEMBL1262425 0.82 ITGA2B (0.51) ITGA2BGBA1PIK3CAMAPTLMNA
SCHEMBL1263343 0.81 ITGA2B (0.49) ITGA2BGBA1PIK3CAMAPTMEN1
SCHEMBL4602973 0.80 PIK3CA (0.65) BRAFPIK3CAPIK3C2BMAPTHSD17B10
SCHEMBL27685989 0.80 MEN1 (0.46) PIK3CAMAPTMEN1KMT2APIP5K1C
SCHEMBL1264089 0.80 ITGA2B (0.44) ITGA2BGBA1BRAFPIK3CAMAPT
SCHEMBL27701926 0.80 NPC1 (0.48) ITGA2BGBA1BRAFLMNAMEN1

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 ITGA2B 2965/4885GBA1 2888/4885MOK 1004/4885

“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.