SCHEMBL296368

SCHEMBL296368

COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(N[C@H]3CC[C@H](OC(N)=O)CC3)nc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
HPGD P15428 3/20 0.58
ALDH1A1 P00352 3/20 0.56
GLA P06280 2/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 1/20 0.46
BRCA1 P38398 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
HDAC3 O15379 4/20 0.45
HDAC4 P56524 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC7 Q8WUI4 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC10 Q969S8 4/20 0.45
HDAC11 Q96DB2 4/20 0.45

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
SCHEMBL1749771 1.00 KDM4E (0.58) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL297700 1.00 KDM4E (0.58) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300905 0.91 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300906 0.91 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL301305 0.91 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300944 0.90 KDM4E (0.58) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300851 0.90 KDM4E (0.58) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300850 0.90 KDM4E (0.58) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL15643571 0.90 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300870 0.86 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA

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 10 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
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-20130245027-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-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-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 (6 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 KDM4E 1384/4885HPGD 2421/4885ALDH1A1 4555/4885
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 KDM4E 1690/4885HPGD 1819/4885ALDH1A1 2430/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR KDM4E 877/4885HPGD 2833/4885ALDH1A1 4675/4885
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS ELF3, ERG, MTOR KDM4E 664/4885HPGD 3172/4885ALDH1A1 4026/4885
US-20140113904-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, TNNI3K KDM4E 1874/4885HPGD 1595/4885ALDH1A1 4005/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885HPGD 1325/4885ALDH1A1 2113/4885

“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.