SCHEMBL481637

SCHEMBL481637

O=c1[nH]c2ncc(-c3cccc4ncccc34)nc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 14/20 0.51
ATR Q13535 1/20 0.41
LOXL3 P58215 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ACVR1 Q04771 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
FTO Q9C0B1 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL481621 0.83 MTOR (0.58) ATRALDH1A1CYP2C19
SCHEMBL481664 0.82 FYN (0.44) MAP3K11ATRACVR1ALDH1A1FTO
SCHEMBL481704 0.81 FYN (0.55) ATRACVR1ALDH1A1KDM5B
SCHEMBL481545 0.81 FYN (0.55) ATRACVR1ALDH1A1KDM5B
SCHEMBL481543 0.81 FYN (0.55) ATRACVR1ALDH1A1KDM5B
SCHEMBL481888 0.80 MTOR (0.55) ATRACVR1FTOKDM5BKDM2A
SCHEMBL2360980 0.80 MAP3K11 (0.57) MAP3K11
SCHEMBL481836 0.79 FYN (0.44) MAP3K11ATRACVR1CYP2C19KDM5B
SCHEMBL482532 0.78 GSK3B (0.47) ACVR1
SCHEMBL481278 0.78 FYN (0.43) ATRACVR1ALDH1A1FTOKDM5B

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 63 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-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
WO-2013059396-A2 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 WO disclosed
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2013-04-25 US disclosed
WO-2013019927-A1 IDENTIFICATION OF GENE EXPRESSION PROFILE AS A PREDICTIVE BIOMARKER FOR LKB1 STATUS SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-07 WO disclosed
EP-2531194-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2012-12-12 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
WO-2011097333-A1 IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2011-08-11 WO 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 (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 94/4885ATR 327/4885LOXL3 3218/4885
US-20230338370-A1 Treatment of Cancer with TOR Kinase Inhibitors MTOR, TTK, BRCA1 MAP3K11 41/4885ATR 273/4885LOXL3 4385/4885
US-20220273650-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MAP3K11 82/4885ATR 200/4885LOXL3 4506/4885
US-20110245245-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HETEROARYL COMPOUNDS JAK2, GLS2, NFKBIA MAP3K11 44/4885ATR 562/4885LOXL3 992/4885
US-20130102613-A1 TREATMENT OF CANCER WITH TOR KINASE INHIBITORS MTOR, TTK, RICTOR MAP3K11 82/4885ATR 200/4885LOXL3 4506/4885
US-11166950-B2 Treatment of cancer with TOR kinase inhibitors MTOR, TTK, RICTOR MAP3K11 82/4885ATR 200/4885LOXL3 4506/4885

“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.