SCHEMBL300875

SCHEMBL300875

NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1OC(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.67
PIK3CB P42338 10/20 0.67
PIK3CG P48736 10/20 0.67
PIK3CA P42336 9/20 0.67
KDM4E B2RXH2 3/20 0.59
GLA P06280 2/20 0.59
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CSNK2A1 P68400 5/20 0.55
MAPT P10636 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL300881 0.87 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL301340 0.86 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL301171 0.86 PIK3CD (0.75) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL300919 0.85 KDM4E (0.68) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL300925 0.84 PIK3CD (0.70) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL28028902 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL27796448 0.83 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL293199 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL300978 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E
SCHEMBL301307 0.83 PIK3CD (0.68) PIK3CDPIK3CBPIK3CGPIK3CAKDM4E

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
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN claimed
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 US 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-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
CN-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-103857804-A Identification of gene expression profiles as predictive biomarkers for LKB1 status SIGNAL PHARM LLC 2014-06-11 CN 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-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
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 PIK3CD 649/4885PIK3CB 267/4885PIK3CG 821/4885
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.