SCHEMBL589233

SCHEMBL589233

O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12)c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
ALK Q9UM73 6/20 0.44
INSR P06213 3/20 0.44
IGF1R P08069 3/20 0.44
NTRK1 P04629 2/20 0.44
AURKA O14965 2/20 0.44
AURKB Q96GD4 2/20 0.44
CDK8 P49336 5/20 0.41
CCNC P24863 4/20 0.41
ATR Q13535 1/20 0.39
CTNNB1 P35222 1/20 0.39
TCF7L2 Q9NQB0 1/20 0.39
MET P08581 2/20 0.38
CDC7 O00311 1/20 0.37
DAPK3 O43293 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PIM1 P11309 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
SCHEMBL589234 1.00 HRH3 (0.46) HRH3ALKINSRIGF1RNTRK1
SCHEMBL590429 1.00 HRH3 (0.46) HRH3ALKINSRIGF1RNTRK1
SCHEMBL23493377 0.92 ALK (0.43) HRH3ALKINSRIGF1RNTRK1
SCHEMBL23493380 0.92 ALK (0.43) HRH3ALKINSRIGF1RNTRK1
SCHEMBL3513786 0.87 ALK (0.60) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3513130 0.87 ALK (0.60) ALKINSRIGF1RNTRK1AURKA
SCHEMBL589398 0.82 L3MBTL1 (0.46) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3512848 0.79 ALK (0.56) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3512844 0.79 ALK (0.56) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3514487 0.79 ALK (0.56) ALKINSRIGF1RNTRK1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120932-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Nerviano Medical Sciences S.r.l. (IT) 2009-11-25 EP claimed
WO-2008074749-A9 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES SRL (IT) 2009-05-07 WO claimed
WO-2008074749-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-26 WO claimed
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-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
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
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-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
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 (7 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 HRH3 3539/4885ALK 556/4885INSR 668/4885
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 HRH3 3412/4885ALK 420/4885INSR 400/4885
US-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 HRH3 3715/4885ALK 1037/4885INSR 1551/4885
US-10682348-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 HRH3 2814/4885ALK 337/4885INSR 303/4885
US-10231965-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 HRH3 2814/4885ALK 337/4885INSR 303/4885
US-20190282564-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 HRH3 2814/4885ALK 337/4885INSR 303/4885
US-20180333412-A1 METHODS FOR TREATING NEUROBLASTOMA UBTF, CABLES1, WEE2 HRH3 3715/4885ALK 1037/4885INSR 1551/4885

“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.