Sugi Predict

Sugi Predict / Compounds / SCHEMBL589728

SCHEMBL589728

SCHEMBL589728

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cccc(F)c5)cc34)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 9/20 0.65
▸ FLT3 P36888 8/20 0.65
▸ ALK Q9UM73 4/20 0.64
▸ IGF1R P08069 4/20 0.64
▸ NTRK1 P04629 3/20 0.64
▸ INSR P06213 3/20 0.64
▸ AURKA O14965 2/20 0.64
▸ AURKB Q96GD4 1/20 0.64
▸ HTR6 P50406 1/20 0.54
▸ FGFR1 P11362 1/20 0.51

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
SCHEMBL589227 0.93 ALK (0.71) KITFLT3ALKIGF1RNTRK1
Hydrochloric Acid SCHEMBL591581 0.92 ALK (0.70) KITFLT3ALKIGF1RNTRK1
SCHEMBL591131 0.91 KIT (0.63) KITFLT3ALKIGF1RNTRK1
SCHEMBL591974 0.90 ALK (0.58) KITFLT3ALKIGF1RNTRK1
SCHEMBL591399 0.88 ALK (0.67) KITFLT3ALKIGF1RNTRK1
SCHEMBL3503729 0.87 ALK (0.56) KITFLT3ALKIGF1RNTRK1
SCHEMBL589685 0.86 ALK (0.54) KITFLT3ALKIGF1RNTRK1
SCHEMBL592397 0.86 ALK (0.54) KITFLT3ALKIGF1RNTRK1
SCHEMBL590076 0.85 ALK (0.56) ALKIGF1RNTRK1INSRAURKA
SCHEMBL590126 0.85 IGF1R (0.62) KITFLT3ALKIGF1RNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101594862-A Substituted indazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL (IT) 2009-12-02 — — CN claimed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 — — WO claimed
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
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 KIT 131/4885FLT3 1302/4885ALK 556/4885
US-20150283132-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 KIT 662/4885FLT3 157/4885ALK 337/4885
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 KIT 505/4885FLT3 176/4885ALK 420/4885
US-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 KIT 157/4885FLT3 2368/4885ALK 1037/4885
US-10682348-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 KIT 662/4885FLT3 157/4885ALK 337/4885
US-10231965-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 KIT 662/4885FLT3 157/4885ALK 337/4885
US-20190282564-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 KIT 662/4885FLT3 157/4885ALK 337/4885
US-20180333412-A1 METHODS FOR TREATING NEUROBLASTOMA UBTF, CABLES1, WEE2 KIT 157/4885FLT3 2368/4885ALK 1037/4885

“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.