SCHEMBL589398

SCHEMBL589398

O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12)c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 15/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL3 Q96JM7 16/20 0.46
MBTD1 Q05BQ5 5/20 0.46
NTRK1 P04629 2/20 0.44
AURKA O14965 1/20 0.44
INSR P06213 1/20 0.44
IGF1R P08069 1/20 0.44
AURKB Q96GD4 1/20 0.44
ALK Q9UM73 1/20 0.44
TP53BP1 Q12888 1/20 0.43
L3MBTL4 Q8NA19 1/20 0.43
MAPK10 P53779 1/20 0.42

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
SCHEMBL3511329 0.85 ALK (0.62) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL589233 0.82 HRH3 (0.46) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL589234 0.82 HRH3 (0.46) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL590429 0.82 HRH3 (0.46) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL23493380 0.79 ALK (0.43) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL23493377 0.79 ALK (0.43) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL589582 0.79 SFRP1 (0.42) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL15866428 0.77 L3MBTL1 (0.46) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL589227 0.77 ALK (0.71) NTRK1AURKAINSRIGF1RAURKB
SCHEMBL589182 0.77 INSR (0.63) NTRK1AURKAINSRIGF1RAURKB

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 L3MBTL1 2757/4885KDM4E 1306/4885MEN1 625/4885
US-20100197665-A1 INDAZOLE DERIVATIVES AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER MAP3K5, MAP3K19, MAP3K3 L3MBTL1 2658/4885KDM4E 832/4885MEN1 3368/4885
US-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 L3MBTL1 1965/4885KDM4E 1646/4885MEN1 1498/4885
US-10682348-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 L3MBTL1 1421/4885KDM4E 3298/4885MEN1 3153/4885
US-10231965-B2 Molecules for administration to ROS1 mutant cancer cells ROS1, KRAS, NOX1 L3MBTL1 1421/4885KDM4E 3298/4885MEN1 3153/4885
US-20190282564-A1 MOLECULES FOR ADMINISTRATION TO ROS1 MUTANT CANCER CELLS ROS1, KRAS, NOX1 L3MBTL1 1421/4885KDM4E 3298/4885MEN1 3153/4885
US-20180333412-A1 METHODS FOR TREATING NEUROBLASTOMA UBTF, CABLES1, WEE2 L3MBTL1 1965/4885KDM4E 1646/4885MEN1 1498/4885

“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.