SCHEMBL589294

SCHEMBL589294

O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)c1ccc(CN2CCCCC2)cc1NC1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 15/20 0.73
INSR P06213 14/20 0.73
IGF1R P08069 11/20 0.73
AURKA O14965 2/20 0.53
AURKB Q96GD4 2/20 0.53
PLK4 O00444 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
MAP4K4 O95819 1/20 0.53
ABL1 P00519 1/20 0.53
NTRK1 P04629 1/20 0.53
PRKCG P05129 1/20 0.53
LCK P06239 1/20 0.53
FYN P06241 1/20 0.53
CSF1R P07333 1/20 0.53
LYN P07948 1/20 0.53
RET P07949 1/20 0.53
MET P08581 1/20 0.53
ROS1 P08922 1/20 0.53
KIT P10721 1/20 0.53

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
SCHEMBL589982 0.99 ALK (0.72) ALKINSRIGF1RAURKAAURKB
SCHEMBL589296 0.96 ALK (0.67) ALKINSRIGF1RAURKAAURKB
SCHEMBL590081 0.94 INSR (0.80) ALKINSRIGF1RAURKAAURKB
SCHEMBL589690 0.94 INSR (0.78) ALKINSRIGF1RAURKAAURKB
SCHEMBL591035 0.90 INSR (0.72) ALKINSRIGF1RAURKAAURKB
SCHEMBL590113 0.89 ALK (0.59) ALKINSRIGF1RAURKAAURKB
SCHEMBL591315 0.87 ALK (0.61) ALKINSRIGF1RAURKAAURKB
SCHEMBL589756 0.87 ALK (0.55) ALKINSRIGF1RAURKAAURKB
SCHEMBL590085 0.86 ALK (0.55) ALKINSRIGF1RAURKAAURKB
SCHEMBL591042 0.86 ALK (0.58) ALKINSRIGF1RAURKAAURKB

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3834827-A1 N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-4-(4-METHYL-PIPERAZIN-1-YL)-2-(TETRAHYDRO-2H-PYRAN-4-YLAMINO) BENZAMIDE FOR TREATING PATIENTS WITH ROS1,NTRK1, NTRK2 AND NTRK3 MUTANT CANCER CELLS Ignyta, Inc. (US) 2021-06-16 EP disclosed
EP-3107541-B1 COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS IGNYTA INC (US) 2020-12-23 EP disclosed
US-10682348-B2 Molecules for administration to ROS1 mutant cancer cells IGNYTA, INC. (US) 2020-06-16 US disclosed
US-10561651-B2 Methods for treating neuroblastoma IGNYTA, INC. (US) 2020-02-18 US disclosed
US-20190282564-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS IGNYTA, INC. 2019-09-19 US disclosed
US-10231965-B2 Molecules for administration to ROS1 mutant cancer cells IGNYTA, INC. (US) 2019-03-19 US disclosed
US-20180333412-A1 METHODS FOR TREATING NEUROBLASTOMA IGNYTA, INC. (US) 2018-11-22 US disclosed
US-20170007599-A1 METHODS FOR TREATING NEUROBLASTOMA IGNYTA, INC. 2017-01-12 US disclosed
EP-3107541-A1 COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS Ignyta, Inc. (US) 2016-12-28 EP disclosed
US-20150283132-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS IGNYTA, INC. 2015-10-08 US disclosed
WO-2015124697-A1 COMPOUNDS FOR TREATING PATIENTS WITH ROS1 MUTANT CANCER CELLS IGNYTA, INC. (US) 2015-08-27 WO disclosed
EP-2120932-B1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2014-07-09 EP disclosed
US-8114865-B2 Indazole derivatives as kinase inhibitors for the treatment of cancer NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-14 US disclosed
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-08-05 US disclosed
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP disclosed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO disclosed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 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 (8 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-20170007599-A1 METHODS FOR TREATING NEUROBLASTOMA NEK2, CSNK1G3, AHNAK ALK 556/4885INSR 668/4885IGF1R 215/4885
US-20150283132-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 ALK 337/4885INSR 303/4885IGF1R 72/4885
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 ALK 420/4885INSR 400/4885IGF1R 117/4885
US-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 ALK 1037/4885INSR 1551/4885IGF1R 299/4885
US-10682348-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 ALK 337/4885INSR 303/4885IGF1R 72/4885
US-10231965-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 ALK 337/4885INSR 303/4885IGF1R 72/4885
US-20190282564-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 ALK 337/4885INSR 303/4885IGF1R 72/4885
US-20180333412-A1 METHODS FOR TREATING NEUROBLASTOMA UBTF, CABLES1, WEE2 ALK 1037/4885INSR 1551/4885IGF1R 299/4885

“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.