SCHEMBL3595938

SCHEMBL3595938

OCC1CCCN1c1nc(N2CCOCC2)nc(-n2cnc3ccccc32)n1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 10/20 0.69
ATM Q13315 1/20 0.47
PIK3CD O00329 5/20 0.45
LCK P06239 1/20 0.44
PIK3CA P42336 4/20 0.43
PIK3CG P48736 4/20 0.43
CHEK1 O14757 3/20 0.43
ATR Q13535 3/20 0.43
PDCD1 Q15116 3/20 0.43
ATRIP Q8WXE1 3/20 0.43
CD274 Q9NZQ7 3/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
ACVR1 Q04771 1/20 0.41
PIK3C2B O00750 1/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
TSHR P16473 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
SCHEMBL6625427 0.83 PIK3CB (1.00) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL6629606 0.83 PIK3CB (1.00) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL3589069 0.82 PIK3CB (0.81) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL6626701 0.81 PIK3CB (0.72) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL3594472 0.81 PIK3CB (0.90) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL6625306 0.80 PIK3CB (0.71) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL6625463 0.79 PIK3CB (0.85) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL6626404 0.78 PIK3CB (0.87) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL927196 0.78 PIK3CB (0.87) PIK3CBPIK3CDLCKPIK3CAPIK3CG
SCHEMBL20078072 0.78 PIK3CB (0.87) PIK3CBPIK3CDLCKPIK3CAPIK3CG

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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA (GB) 2010-01-28 US disclosed
EP-2069330-A1 2 -BENZIMIDAZOLYL- 6 -MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-06-17 EP disclosed
WO-2008032028-A1 2 -BENZIMIDAZOLYL- 6 -MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032036-A1 6-BENZIMIDAZ0LYL-2-M0RPH0LIN0-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-03-20 WO disclosed
WO-2008032041-A1 PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST PI3K ENZYMES ASTRAZENECA AB (SE) 2008-03-20 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-20100022534-A1 2-BENZIMIDAZOLYL-6-MORPHOLINO-4- (AZETIDINE, PYRROLIDINE, PIPERIDINE OR AZEPINE) PYRIMIDINE DERIVATIVES AS PI3K AND MTOR INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS MTOR, PIK3CA, PIK3CD PIK3CB 13/4885ATM 353/4885PIK3CD 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.