SCHEMBL19457411

SCHEMBL19457411

Cc1ccc2c(c1)C(=O)N(C)c1cnc(Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)nc1N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 16/20 1.00
▸ PIK3CG P48736 16/20 1.00
▸ PIK3C2G O75747 15/20 1.00
▸ AURKA O14965 10/20 0.82
▸ AURKB Q96GD4 10/20 0.82
▸ PIK3CA P42336 4/20 0.82
▸ BRD4 O60885 3/20 0.82
▸ PIK3CB P42338 3/20 0.82
▸ LRRK2 Q5S007 2/20 0.61
▸ DCLK1 O15075 1/20 0.61
▸ NUAK1 O60285 3/20 0.59
▸ MAPK7 Q13164 1/20 0.56

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
SCHEMBL19457444 0.93 PIK3CD (0.88) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457393 0.93 PIK3CD (0.86) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457382 0.91 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457386 0.90 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457409 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457389 0.89 PIK3CD (1.00) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457443 0.88 PIK3CD (0.80) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457442 0.87 PIK3CD (0.91) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457445 0.87 PIK3CD (0.91) PIK3CDPIK3CGPIK3C2GAURKAAURKB
SCHEMBL19457440 0.87 PIK3CD (0.77) PIK3CDPIK3CGPIK3C2GAURKAAURKB

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
EP-3440084-B1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA FARBER CANCER INST INC (US) 2022-12-21 — — EP disclosed
US-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-10-26 — — US disclosed
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-11 — — US disclosed
WO-2017177092-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING PI3K-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-12 — — 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 (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-11155556-B2 Pyrimido-diazepinone kinase scaffold compounds and methods for treating PI3K-mediated disorders PI4KA, PIK3CA, PI4KB PIK3CD 5/4885PIK3CG 7/4885PIK3C2G 28/4885
US-20190106424-A1 PYRIMIDO-DIAZEPINON KINASE SCAFFOLD COMPOUNDS AND METHODS FOR TREATING P13K-MEDIATED DISORDERS PI4KA, PI4KB, PIK3CA PIK3CD 6/4885PIK3CG 12/4885PIK3C2G 39/4885

“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.

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