SCHEMBL3513178

SCHEMBL3513178

CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 1.00
INSR P06213 17/20 1.00
IGF1R P08069 11/20 1.00
NTRK1 P04629 5/20 0.80
PLK4 O00444 2/20 0.80
DAPK3 O43293 2/20 0.80
PRKCG P05129 2/20 0.80
ROS1 P08922 2/20 0.80
FER P16591 2/20 0.80
LTK P29376 2/20 0.80
FRK P42685 2/20 0.80
MST1R Q04912 2/20 0.80
PTK2 Q05397 2/20 0.80
TNK2 Q07912 2/20 0.80
NTRK3 Q16288 2/20 0.80
MAP4K5 Q9Y4K4 2/20 0.80
WEE1 P30291 1/20 0.80
MAPK8 P45983 1/20 0.80
DYRK1B Q9Y463 1/20 0.80
AURKA O14965 4/20 0.77

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
Hydrochloric Acid SCHEMBL3511834 0.99 ALK (0.98) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3512471 0.94 ALK (0.88) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3511629 0.92 ALK (0.85) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3513173 0.91 ALK (0.84) ALKINSRIGF1RNTRK1PLK4
SCHEMBL31391654 0.90 ALK (0.81) ALKINSRIGF1RNTRK1PLK4
SCHEMBL13073320 0.89 ALK (0.80) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3510818 0.89 ALK (1.00) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3510936 0.88 ALK (1.00) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3513334 0.87 ALK (0.81) ALKINSRIGF1RNTRK1PLK4
SCHEMBL3514179 0.87 ALK (1.00) ALKINSRIGF1RNTRK1PLK4

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 90 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
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
CN-115916771-A Multi-target antitumor compound and preparation method and application thereof 浙江华海药业股份有限公司 2023-04-04 CN disclosed
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 US disclosed
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2022-05-12 US disclosed
CN-109153669-B Novel crystal form of benzamide compound 内尔维阿诺医学科学有限公司 2021-12-24 CN disclosed
US-11091469-B2 Crystalline form of N-[5-(3,5-difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2021-08-17 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-8299057-B2 Substituted indazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-10-30 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
US-20100292207-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-11-18 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
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 (3 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-11091469-B2 Crystalline form of N-[5-(3,5-difluoro-benzyl)-1H-indazol-3-yl]-4-(4-methyl-piperazin-1-yl)-2-(tetrahydro-pyran-4-ylamino)-benzamide CSNK2A1, CSNK2A2, CSNK1A1 ALK 932/4885INSR 472/4885IGF1R 1346/4885
US-20220144813-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K19, ABL1, MAP3K20 ALK 397/4885INSR 433/4885IGF1R 212/4885

“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.