SCHEMBL301294

SCHEMBL301294

NC(=O)c1nc(-c2cccnc2)nc2c1NC(=O)CN2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
F12 P00748 1/20 0.41
IKBKB O14920 1/20 0.41
MAPT P10636 2/20 0.40
GBA1 P04062 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CFTR P13569 2/20 0.39
HSD17B10 Q99714 2/20 0.39
F2 P00734 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30662745 1.00 KDM4E (0.43) KDM4EGLAGSK3AGSK3BF12
SCHEMBL300899 0.89 CSNK2A1 (0.41) KDM4EGSK3AGSK3BMAPTCYP1A2
SCHEMBL28298212 0.79 MAPT (0.40) GSK3AGSK3BMAPTGBA1CYP1A2
SCHEMBL28028866 0.79 MAPT (0.40) GSK3AGSK3BMAPTGBA1CYP1A2
SCHEMBL290812 0.71 CSNK2A1 (0.72) KDM4EGLAHSD17B10USP2LMNA
SCHEMBL28298247 0.70 POLB (0.60) KDM4EGLAF12IKBKBCYP1A2
SCHEMBL300860 0.68 KDM4E (0.46) KDM4EGLAF12IKBKBCFTR
SCHEMBL28298219 0.67 GSK3A (0.36) KDM4EGSK3AGSK3BMAPTGBA1
SCHEMBL28029215 0.67 GSK3A (0.36) KDM4EGSK3AGSK3BMAPTGBA1
SCHEMBL4053006 0.66 CYP3A4 (0.57) KDM4EIKBKBMAPTCYP1A2CYP3A4

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
CN-101679432-B Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors SIGNAL PHARM LLC 2015-04-22 CN claimed
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 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-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 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-104271138-A Treatment of cancer with tor kinase inhibitors SIGNAL PHARM LLC 2015-01-07 CN disclosed
CN-104271139-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
CN-102574849-A Herbicidal compounds SYNGENTA LTD 2012-07-11 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 KDM4E 1690/4885GLA 2209/4885GSK3A 348/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885GLA 2608/4885GSK3A 391/4885

“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.