SCHEMBL2820820

SCHEMBL2820820

OCC(O)COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 20/20 1.00
PIK3CA P42336 15/20 1.00
PIK3CD O00329 14/20 1.00
PIK3R1 P27986 12/20 1.00
PIK3CG P48736 2/20 0.68

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
SCHEMBL2874420 0.91 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2819319 0.89 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2816007 0.87 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2818070 0.86 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL3566232 0.85 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2882248 0.84 PIK3CB (0.80) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2880716 0.84 PIK3CB (0.79) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2818127 0.83 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2814733 0.83 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL2816532 0.82 PIK3CB (1.00) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG

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
WO-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO claimed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
WO-2010110686-A1 PYRIMIDINYL AND 1,3,5 TRIAZINYL BENZIMIDAZOLES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN PIK3CB 4277/4885PIK3CA 2182/4885PIK3CD 3881/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PIK3CB 4277/4885PIK3CA 2182/4885PIK3CD 3881/4885

“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.