SCHEMBL9884018

SCHEMBL9884018

Cc1cccc2cc(Cn3nc(-c4ccc5oc(N)nc5c4)c4c(N)ncnc43)n(C3CCC3)c(=O)c12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.57
▸ PIK3CD O00329 11/20 0.57
▸ PIK3CG P48736 9/20 0.57
▸ PIK3CA P42336 8/20 0.57
▸ PIK3CB P42338 7/20 0.57
▸ PRKDC P78527 4/20 0.57
▸ DDR1 Q08345 3/20 0.57
▸ ABL1 P00519 3/20 0.54
▸ HDAC1 Q13547 7/20 0.52
▸ HDAC3 O15379 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ SRC P12931 1/20 0.48
▸ RICTOR Q6R327 1/20 0.47
▸ RPTOR Q8N122 1/20 0.47
▸ PIK3C3 Q8NEB9 1/20 0.47
▸ MAPKAP1 Q9BPZ7 1/20 0.47
▸ MLST8 Q9BVC4 1/20 0.47

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
SCHEMBL9884017 0.97 MTOR (0.57) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9884007 0.94 MTOR (0.53) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL15354467 0.94 MTOR (0.53) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9883996 0.93 MTOR (0.52) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9883997 0.92 MTOR (0.51) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL20725953 0.89 MTOR (0.59) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL21028695 0.87 MTOR (0.44) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9884217 0.86 PIK3CD (0.68) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9883994 0.86 PIK3CG (0.61) MTORPIK3CDPIK3CGPIK3CAPIK3CB
SCHEMBL9884181 0.86 PIK3CD (0.62) MTORPIK3CDPIK3CGPIK3CAPIK3CB

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 — — US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 — — EP disclosed
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 — — EP disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 — — US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 — — US disclosed
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2012-09-27 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 — — US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 — — US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 — — US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — 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 (10 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MTOR 49/4885PIK3CD 4/4885PIK3CG 2/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD MTOR 32/4885PIK3CD 3/4885PIK3CG 2/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MTOR 49/4885PIK3CD 4/4885PIK3CG 2/4885
US-20120245169-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB MTOR 49/4885PIK3CD 4/4885PIK3CG 2/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MTOR 104/4885PIK3CD 7/4885PIK3CG 8/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MTOR 53/4885PIK3CD 6/4885PIK3CG 15/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A MTOR 104/4885PIK3CD 7/4885PIK3CG 8/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MTOR 287/4885PIK3CD 5/4885PIK3CG 9/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB MTOR 280/4885PIK3CD 4/4885PIK3CG 6/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A MTOR 104/4885PIK3CD 7/4885PIK3CG 8/4885

“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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