SCHEMBL481682

SCHEMBL481682

CO[C@H]1CC[C@H](Cn2c(=O)[nH]c3ncc(-c4ccc5nc[nH]c5c4)nc32)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 16/20 0.80
PIK3CA P42336 2/20 0.80
GSK3A P49840 1/20 0.80
MAP3K11 Q16584 4/20 0.67

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
SCHEMBL481681 1.00 MTOR (0.80) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481344 0.81 MTOR (0.86) MTORPIK3CAGSK3A
SCHEMBL481953 0.81 MTOR (0.80) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481954 0.81 MTOR (0.80) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481812 0.80 MTOR (0.78) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481814 0.80 MTOR (0.78) MTORPIK3CAGSK3AMAP3K11
SCHEMBL720866 0.80 MAP3K11 (1.00) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481866 0.80 MTOR (0.86) MTORPIK3CAGSK3AMAP3K11
Hydrochloric Acid SCHEMBL481828 0.79 MTOR (0.85) MTORPIK3CAGSK3AMAP3K11
SCHEMBL481709 0.77 MAP3K11 (0.56) MTORPIK3CAGSK3AMAP3K11

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 41 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
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
US-20130245029-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-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 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
EP-2090577-A2 Heteroaryl compounds, compositions thereof, and their use as protein kinase inhibitors Signal Pharmaceuticals LLC (US) 2009-08-19 EP 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 (9 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 11/4885PIK3CA 85/4885GSK3A 855/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MTOR 1/4885PIK3CA 4/4885GSK3A 468/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MTOR 138/4885PIK3CA 590/4885GSK3A 473/4885
US-20130225518-A1 METHODS FOR TREATING CANCER USING TOR KINASE INHIBITOR COMBINATION THERAPY DCK, DTYMK, MTOR MTOR 3/4885PIK3CA 14/4885GSK3A 688/4885
US-20130158023-A1 IDENTIFICATION OF GENE EXPRESSION AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS STK16, STK10, STK11 MTOR 25/4885PIK3CA 195/4885GSK3A 434/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MTOR 1/4885PIK3CA 9/4885GSK3A 705/4885
US-20130245029-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS EWSR1, ELF3, MTOR MTOR 3/4885PIK3CA 21/4885GSK3A 2040/4885
US-20130245028-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS ELF3, ERG, MTOR MTOR 3/4885PIK3CA 26/4885GSK3A 1273/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR MTOR 1/4885PIK3CA 9/4885GSK3A 705/4885

“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.