SCHEMBL301183

SCHEMBL301183

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3ccc(CN)cc3)nc21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.86
ALDH1A1 P00352 3/20 0.86
HPGD P15428 3/20 0.86
GLA P06280 2/20 0.86
GAA P10253 2/20 0.86
SMN1; SMN2 Q16637 1/20 0.86
USP2 O75604 3/20 0.60
TSHR P16473 3/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 2/20 0.60
ESR1 P03372 1/20 0.60
TP53 P04637 1/20 0.60
HTT P42858 1/20 0.60
HDAC3 O15379 5/20 0.59
HDAC4 P56524 5/20 0.59
HDAC1 Q13547 5/20 0.59
HDAC7 Q8WUI4 5/20 0.59
HDAC2 Q92769 5/20 0.59

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
SCHEMBL297560 0.93 KDM4E (0.86) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300901 0.92 KDM4E (0.73) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300825 0.91 KDM4E (0.82) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL291560 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL19254092 0.90 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL300924 0.89 KDM4E (0.80) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL296461 0.88 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL301283 0.88 KDM4E (0.81) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL19207435 0.87 KDM4E (0.80) KDM4EALDH1A1HPGDGLAGAA
SCHEMBL297473 0.86 KDM4E (0.73) KDM4EALDH1A1HPGDGLAGAA

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 13 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-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
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
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 1690/4885ALDH1A1 2430/4885HPGD 1819/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885ALDH1A1 2113/4885HPGD 1325/4885

“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.