SCHEMBL741445

SCHEMBL741445

COc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 1.00
MTOR P42345 9/20 1.00
PIK3CD O00329 4/20 0.84
PIK3CB P42338 4/20 0.84
PIK3CG P48736 4/20 0.84
PIK3R1 P27986 1/20 0.84
PRKDC P78527 1/20 0.84
PDE4D Q08499 1/20 0.84
RICTOR Q6R327 1/20 0.84
RPTOR Q8N122 1/20 0.84
PIK3C3 Q8NEB9 1/20 0.84
PIP4K2C Q8TBX8 1/20 0.84
MAPKAP1 Q9BPZ7 1/20 0.84
MLST8 Q9BVC4 1/20 0.84
IRAK3 Q9Y616 1/20 0.84

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
SCHEMBL17060446 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1300383 0.92 PIK3CA (0.86) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL29352875 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL29358168 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL623194 0.92 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25495105 0.91 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17833773 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL21964236 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1300553 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL23121496 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection THE BABRAHAM INSTITUTE 2012-07-19 US claimed
US-10004803-B2 Low, immune enhancing, dose mtor inhibitors and uses thereof NOVARTIS AG (CH) 2018-06-26 US disclosed
US-20170281753-A1 LOW, IMMUNE ENHANCING, DOSE MTOR INHIBITORS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. (US) 2017-10-05 US disclosed
US-20170274014-A1 COMBINATIONS OF LOW, IMMUNE ENHANCING, DOSES OF MTOR INHIBITORS AND CARS Brogdon, Jennifer (US) 2017-09-28 US disclosed
US-20160311907-A1 REGULATABLE CHIMERIC ANTIGEN RECEPTOR NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160067247-A1 NOVEL USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-03-10 US disclosed
US-20150140036-A1 LOW, IMMUNE ENHANCING, DOSE MTOR INHIBITORS AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. (US) 2015-05-21 US disclosed
US-20150051215-A1 PI3K INHIBITORS FOR TREATING FIBROTIC DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-02-19 US disclosed
US-20150031702-A1 PI3K INHIBITORS FOR TREATING COUGH GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-01-29 US disclosed
US-20130137701-A1 COMBINATION GLAXOSMITHKLINE LLC 2013-05-30 US disclosed
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US disclosed
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2013-05-09 US disclosed
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS CURIS, INC. 2013-04-25 US disclosed
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection THE BABRAHAM INSTITUTE 2012-07-19 US disclosed
US-8138347-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-03-20 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 US disclosed
US-20110135655-A1 Role of PI3K p110 delta Signaling in Retroviral Infection and Replication PHILADELPHIA HEALTH AND EDUCATION CORPORATION d/b/a Drexel University College of Medicine; 2011-06-09 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 (14 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-20110135655-A1 Role of PI3K p110 delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R1 PIK3CA 10/4885MTOR 53/4885PIK3CD 5/4885
US-20150031702-A1 PI3K INHIBITORS FOR TREATING COUGH PLA2G2C, PIK3R5, PIK3R2 PIK3CA 22/4885MTOR 65/4885PIK3CD 12/4885
US-20120184519-A1 Compositions and Methods for Preventing or Treating Influenza Virus Infection PIK3R5, PIK3C2A, PIK3C2B PIK3CA 9/4885MTOR 103/4885PIK3CD 6/4885
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B PIK3CA 1/4885MTOR 37/4885PIK3CD 5/4885
US-20130137701-A1 COMBINATION KRAS, NQO2, QDPR PIK3CA 1234/4885MTOR 3366/4885PIK3CD 2659/4885
US-10004803-B2 Low, immune enhancing, dose mtor inhibitors and uses thereof RICTOR, MTOR, RPTOR PIK3CA 64/4885MTOR 2/4885PIK3CD 73/4885
US-20160311907-A1 REGULATABLE CHIMERIC ANTIGEN RECEPTOR CD74, HAVCR2, FCGR2A PIK3CA 3182/4885MTOR 2743/4885PIK3CD 1546/4885
US-20130102595-A1 TREATMENT OF CANCERS HAVING K-RAS MUTATIONS KRAS, HRAS, KSR2 PIK3CA 31/4885MTOR 220/4885PIK3CD 194/4885
US-20160067247-A1 NOVEL USE CFTR, MMP1, FIBP PIK3CA 4121/4885MTOR 4383/4885PIK3CD 3866/4885
US-20150140036-A1 LOW, IMMUNE ENHANCING, DOSE MTOR INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PIK3CA 62/4885MTOR 1/4885PIK3CD 86/4885
US-20150051215-A1 PI3K INHIBITORS FOR TREATING FIBROTIC DISEASES PIK3R5, PIK3CD, PIK3CA PIK3CA 3/4885MTOR 32/4885PIK3CD 2/4885
US-20170281753-A1 LOW, IMMUNE ENHANCING, DOSE MTOR INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PIK3CA 62/4885MTOR 1/4885PIK3CD 86/4885
US-20130116267-A1 Role of PI3K P110 Delta Signaling in Retroviral Infection and Replication PIK3R5, PIK3R4, PIK3R3 PIK3CA 10/4885MTOR 58/4885PIK3CD 6/4885
US-20170274014-A1 COMBINATIONS OF LOW, IMMUNE ENHANCING, DOSES OF MTOR INHIBITORS AND CARS ICOS, RICTOR, CD47 PIK3CA 286/4885MTOR 4/4885PIK3CD 256/4885

“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.