SCHEMBL3512450

SCHEMBL3512450

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5ccccc5)cc34)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.80
INSR P06213 9/20 0.80
IGF1R P08069 6/20 0.80
NTRK1 P04629 3/20 0.80
AURKA O14965 2/20 0.80
AURKB Q96GD4 1/20 0.80
KIT P10721 7/20 0.67
FLT3 P36888 6/20 0.67
PLK4 O00444 1/20 0.60
DAPK3 O43293 1/20 0.60
PRKCG P05129 1/20 0.60
ROS1 P08922 1/20 0.60
FER P16591 1/20 0.60
LTK P29376 1/20 0.60
WEE1 P30291 1/20 0.60
FRK P42685 1/20 0.60
MAPK8 P45983 1/20 0.60
MST1R Q04912 1/20 0.60
PTK2 Q05397 1/20 0.60
TNK2 Q07912 1/20 0.60

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
SCHEMBL3512021 0.91 ALK (0.87) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3511212 0.89 ALK (1.00) ALKINSRIGF1RNTRK1AURKA
SCHEMBL18108652 0.87 AURKA (0.72) ALKINSRIGF1RNTRK1AURKA
SCHEMBL1334861 0.86 KIT (0.87) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3513873 0.84 ALK (0.79) ALKINSRIGF1RNTRK1AURKA
SCHEMBL3510258 0.84 ALK (0.87) ALKINSRIGF1RNTRK1AURKA
SCHEMBL1334910 0.83 KIT (0.86) ALKINSRIGF1RNTRK1AURKA
SCHEMBL1335749 0.83 KIT (0.86) ALKINSRIGF1RNTRK1AURKA
SCHEMBL1335053 0.83 FLT3 (0.88) ALKINSRIGF1RNTRK1AURKA
SCHEMBL591131 0.83 KIT (0.63) 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176231-B1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-10-19 EP claimed
US-8299057-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-30 US claimed
US-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-18 US claimed
CN-101754956-A Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2010-06-23 CN claimed
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP claimed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO claimed
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 US disclosed
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-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2020-12-03 US 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-20140228351-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-14 US disclosed
US-8673893-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-03-18 US disclosed
US-20130018036-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-17 US disclosed
US-8299057-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-30 US disclosed
US-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-18 US disclosed
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 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-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 ALK 401/4885INSR 387/4885IGF1R 188/4885
US-20200377487-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885INSR 433/4885IGF1R 212/4885
US-20130018036-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, MAP3K3, MAP3K5 ALK 401/4885INSR 387/4885IGF1R 188/4885
US-10561651-B2 Methods for treating neuroblastoma UBTF, CABLES1, WEE2 ALK 1037/4885INSR 1551/4885IGF1R 299/4885
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885INSR 433/4885IGF1R 212/4885
US-20140228351-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885INSR 433/4885IGF1R 212/4885
US-10682348-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

“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.