SCHEMBL296157

SCHEMBL296157

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

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.70
PIK3CB P42338 15/20 0.70
PIK3CG P48736 15/20 0.70
PIK3CA P42336 14/20 0.70
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
SCHEMBL1750367 0.90 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300868 0.85 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL297655 0.83 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL29793901 0.81 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300821 0.81 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL11939631 0.81 PIK3CD (0.82) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28821909 0.80 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL293199 0.80 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL4047082 0.80 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300991 0.79 PIK3CD (0.62) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN claimed
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
CN-105039520-A Identification of gene expression profile as a predictive biomarker for lkb1 status SIGNAL PHARM LLC 2015-11-11 CN disclosed
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN disclosed
CN-104271139-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN 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
CN-102821767-A IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARM LLC 2012-12-12 CN 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
CN-101679432-A Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2010-03-24 CN 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 (5 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-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-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-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.