SCHEMBL481092

SCHEMBL481092

NC(=O)c1ccc(-c2cnc3[nH]c(=O)n(C4CCC(O)CC4)c3n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.68
MAP3K11 Q16584 5/20 0.64
PIK3CA P42336 2/20 0.52
MAPK1 P28482 1/20 0.48
GSK3A P49840 1/20 0.43

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
SCHEMBL481095 1.00 MTOR (0.68) MTORMAP3K11PIK3CAMAPK1GSK3A
SCHEMBL481501 0.87 MAP3K11 (0.83) MTORMAP3K11
SCHEMBL481503 0.87 MAP3K11 (0.83) MTORMAP3K11
SCHEMBL481756 0.84 MAP3K11 (0.61) MTORMAP3K11PIK3CA
SCHEMBL481753 0.84 MAP3K11 (0.61) MTORMAP3K11PIK3CA
SCHEMBL482152 0.82 MAP3K11 (0.55) MTORMAP3K11PIK3CAGSK3A
SCHEMBL482157 0.82 MAP3K11 (0.55) MTORMAP3K11PIK3CAGSK3A
SCHEMBL482155 0.82 MAP3K11 (0.55) MTORMAP3K11PIK3CAGSK3A
SCHEMBL28352263 0.81 MTOR (1.00) MTORMAP3K11PIK3CA
SCHEMBL481453 0.81 MTOR (1.00) MTORMAP3K11PIK3CA

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 48 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
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS SIGNAL PHARMACEUTICALS, LLC 2011-10-06 US 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-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
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
EP-3659599-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2020-06-03 EP 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
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US 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
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-01-22 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-20110257167-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS STK11, STK16, STK10 MTOR 11/4885MAP3K11 94/4885PIK3CA 85/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MTOR 1/4885MAP3K11 41/4885PIK3CA 4/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MTOR 138/4885MAP3K11 44/4885PIK3CA 590/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885MAP3K11 82/4885PIK3CA 9/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MTOR 73/4885MAP3K11 39/4885PIK3CA 221/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR MTOR 1/4885MAP3K11 82/4885PIK3CA 9/4885

“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.