SCHEMBL3601949

SCHEMBL3601949

O=C(NC1CCN(c2cc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1)[C@@H]1CCCN1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 0.64
PIK3CD O00329 13/20 0.64
PIK3CA P42336 12/20 0.64
PIK3CG P48736 11/20 0.64
PIK3R1 P27986 1/20 0.54

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
SCHEMBL3601948 1.00 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3601952 1.00 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3588314 0.98 PIK3CB (0.65) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4779043 0.96 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4849264 0.94 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4781800 0.94 PIK3CB (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL3589159 0.92 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG
SCHEMBL10124537 0.89 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL10124536 0.89 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3CGPIK3R1
SCHEMBL4842864 0.88 PIK3CB (0.61) PIK3CBPIK3CDPIK3CAPIK3CG

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 4 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 claimed
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 claimed
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 claimed
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

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 13/4885PIK3CD 3/4885PIK3CA 2/4885

“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.