SCHEMBL481405

SCHEMBL481405

CC(c1ccc(S(C)(=O)=O)cc1)n1c(=O)[nH]c2ncc(-c3cccc4ncccc34)nc21

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42
BPTF Q12830 1/20 0.41
MTOR P42345 1/20 0.39
USP1 O94782 9/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MET P08581 2/20 0.35
ACVR1 Q04771 2/20 0.34
BRD4 O60885 1/20 0.33
CDK9 P50750 1/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL481116 0.89 FYN (0.47) FYNBPTFMTORUSP1MET
SCHEMBL481545 0.89 FYN (0.55) FYNMTORUSP1METACVR1
SCHEMBL481704 0.89 FYN (0.55) FYNMTORUSP1METACVR1
SCHEMBL481543 0.89 FYN (0.55) FYNMTORUSP1METACVR1
SCHEMBL481557 0.88 FYN (0.47) FYNPTGDR2BPTFMTORUSP1
SCHEMBL481460 0.88 FYN (0.48) FYNBPTFMTORUSP1MET
SCHEMBL481591 0.87 FYN (0.45) FYNMTORUSP1METACVR1
SCHEMBL481670 0.85 FYN (0.47) FYNBPTFMTORUSP1MET
SCHEMBL481888 0.84 MTOR (0.55) FYNBPTFMTORMETACVR1
SCHEMBL481836 0.83 FYN (0.44) FYNBPTFMTORUSP1MET

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP claimed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP claimed
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors SIGNAL PHARM LLC (US) 2023-10-26 US disclosed
EP-3659599-B1 1-ETHYL-7-(2-METHYL-6-(1H-1,2,4-TRIAZOL-3-YL)PYRIDIN-3-YL)-3,4-DIHYDROPYRAZINO[2,3-B]PYRAZIN-2(1H)-ONE FOR USE IN THE TREATMENT OF GLIOBLASTOMA MULTIFORME SIGNAL PHARM LLC (US) 2022-12-21 EP disclosed
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2022-09-01 US disclosed
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2021-11-09 US disclosed
EP-3466423-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2021-07-28 EP disclosed
EP-3659599-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2020-06-03 EP disclosed
EP-2768500-B1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARM LLC (US) 2019-08-21 EP disclosed
EP-2817029-B1 METHODS FOR TREATING NON-SMALL CELL LUNG CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARM LLC (US) 2019-07-10 EP disclosed
EP-3466423-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2019-04-10 EP disclosed
EP-2457913-A2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2012-05-30 EP disclosed
EP-2078016-B1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-02-01 EP 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-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US disclosed
US-7981893-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-07-19 US disclosed
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP disclosed
EP-2078016-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-07-15 EP disclosed
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 US disclosed
WO-2008051493-A2 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE 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 (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-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 FYN 3641/4885PTGDR2 3903/4885BPTF 2355/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 FYN 1407/4885PTGDR2 2478/4885BPTF 995/4885
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR FYN 2488/4885PTGDR2 4046/4885BPTF 1666/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA FYN 137/4885PTGDR2 1927/4885BPTF 2341/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 FYN 116/4885PTGDR2 1867/4885BPTF 2355/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR FYN 2488/4885PTGDR2 4046/4885BPTF 1666/4885

“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.