SCHEMBL481653

SCHEMBL481653

O=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1[C@H]1CC[C@H](O)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.49
MTOR P42345 5/20 0.48
PIK3CA P42336 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
JAK2 O60674 3/20 0.38
EGFR P00533 1/20 0.38
CNR2 P34972 1/20 0.37
JAK1 P23458 2/20 0.37
JAK3 P52333 1/20 0.37
PRKDC P78527 1/20 0.37

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
SCHEMBL481651 1.00 MAP3K11 (0.49) MAP3K11MTORPIK3CACDC7DBF4
SCHEMBL2360980 0.91 MAP3K11 (0.57) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481894 0.90 MAP3K11 (0.47) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481895 0.90 MAP3K11 (0.47) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL2359028 0.89 MTOR (0.59) MAP3K11MTORJAK2JAK1JAK3
SCHEMBL2533295 0.88 MAP3K11 (0.46) MAP3K11MTORPIK3CATNKSPARP1
SCHEMBL2533296 0.88 MAP3K11 (0.46) MAP3K11MTORPIK3CATNKSPARP1
SCHEMBL2533291 0.88 MAP3K11 (0.46) MAP3K11MTORTNKSPARP1PARP2
SCHEMBL481495 0.83 MTOR (0.46) MAP3K11MTORJAK2CNR2JAK1
SCHEMBL481534 0.79 MTOR (0.59) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372976-B2 Methods of treatment comprising the administration of heteroaryl compounds SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-12 US claimed
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-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-3466423-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2019-04-10 EP 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 MAP3K11 94/4885MTOR 11/4885PIK3CA 85/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MAP3K11 41/4885MTOR 1/4885PIK3CA 4/4885
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MAP3K11 82/4885MTOR 1/4885PIK3CA 9/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAP3K11 44/4885MTOR 138/4885PIK3CA 590/4885
US-20090023724-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, PHKG1, PHKG2 MAP3K11 39/4885MTOR 73/4885PIK3CA 221/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR MAP3K11 82/4885MTOR 1/4885PIK3CA 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.