SCHEMBL297655

SCHEMBL297655

CC(C)(C)n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.64
PIK3CB P42338 15/20 0.64
PIK3CG P48736 15/20 0.64
PIK3CA P42336 14/20 0.64
CSNK2A1 P68400 4/20 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
SCHEMBL1750491 0.90 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL296157 0.83 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL301173 0.81 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL30662742 0.81 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300868 0.81 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL11939631 0.81 PIK3CD (0.82) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL293199 0.80 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL4047082 0.80 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300894 0.79 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300847 0.79 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2078018-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARM LLC (US) 2012-03-14 EP claimed
CN-107976546-B Inhibition of phosphorylation of TOR kinase inhibitory Activity markers PRAS40, GSK 3-beta, or P70S6K1 西格诺药品有限公司 2020-10-27 CN disclosed
CN-110721186-A Treatment of prostate cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-24 CN disclosed
CN-107157990-B Treatment of cancer with TOR kinase inhibitors 西格诺药品有限公司 2020-01-07 CN disclosed
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed
US-9555033-B2 Identification of LKB1 mutation as a predictive biomarker for sensitivity to TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2017-01-31 US disclosed
US-9493466-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2016-11-15 US disclosed
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2014-04-24 US disclosed
US-20130245026-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245027-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-09-19 US disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US disclosed
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC 2011-10-20 US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 US disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 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-20130245027-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, BRCA1 PIK3CD 83/4885PIK3CB 85/4885PIK3CG 104/4885
US-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 PIK3CD 354/4885PIK3CB 343/4885PIK3CG 392/4885
US-20130245026-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, CHEK2, CHEK1 PIK3CD 111/4885PIK3CB 109/4885PIK3CG 150/4885
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 PIK3CD 649/4885PIK3CB 267/4885PIK3CG 821/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 PIK3CD 684/4885PIK3CB 650/4885PIK3CG 1076/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR PIK3CD 98/4885PIK3CB 90/4885PIK3CG 120/4885
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS EWSR1, ELF3, MTOR PIK3CD 173/4885PIK3CB 114/4885PIK3CG 180/4885
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS ELF3, ERG, MTOR PIK3CD 175/4885PIK3CB 141/4885PIK3CG 193/4885
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, TNNI3K PIK3CD 157/4885PIK3CB 145/4885PIK3CG 189/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC PIK3CD 569/4885PIK3CB 267/4885PIK3CG 780/4885

“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.