SCHEMBL488657

SCHEMBL488657

Nc1ncc(Br)cc1OCc1c(Cl)ccc(F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MET P08581 15/20 0.59
JAK2 O60674 2/20 0.52
MAP4K3 Q8IVH8 1/20 0.52
ALK Q9UM73 1/20 0.38

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
SCHEMBL488676 0.92 MET (0.55) METJAK2MAP4K3ALK
SCHEMBL1823431 0.88 MET (0.57) METJAK2MAP4K3ALK
SCHEMBL488538 0.85 MET (0.54) MET
SCHEMBL488799 0.82 MET (0.64) MET
SCHEMBL15778791 0.82 MET (0.53) METJAK2MAP4K3ALK
SCHEMBL17224826 0.81 MET (0.45) METJAK2MAP4K3
SCHEMBL10215090 0.80 JAK2 (0.58) METJAK2MAP4K3ALK
SCHEMBL488763 0.80 MET (0.44) MET
SCHEMBL26916900 0.78 MET (0.48) METJAK2MAP4K3
SCHEMBL29857597 0.78 MET (0.48) METJAK2MAP4K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160206608-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER PFIZER INC. (US) 2016-07-21 US disclosed
US-8952002-B2 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2015-02-10 US disclosed
US-20140357613-A1 Aminoheteroaryl compounds and preparation method and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2014-12-04 US disclosed
EP-2805946-A1 AMINO HETEROARYL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2014-11-26 EP disclosed
CN-104144923-A Amino heteroaryl compound and preparation method and application thereof ALLIST PHARMACEUTICALS INC 2014-11-12 CN disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
EP-2764866-A1 Inhibitors of nedd8-activating enzyme IP Gesellschaft für Management mbH (DE) 2014-08-13 EP disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2739284-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER Pfizer Inc (US) 2014-06-11 EP disclosed
EP-1603570-B9 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN INC (US) 2013-10-23 EP disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 US disclosed
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 US disclosed
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib AGOURON PHARMACEUTICALS, INC. 2006-03-02 US disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
WO-2006021881-A2 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
WO-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO disclosed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP disclosed
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer SUGEN, INC. 2005-01-13 US disclosed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 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-20160206608-A1 CRIZOTINIB FOR USE IN THE TREATMENT OF CANCER ROS1, ALK, ABL1 MET 6/4885JAK2 75/4885MAP4K3 311/4885
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 MET 1/4885JAK2 249/4885MAP4K3 10/4885
US-20060046991-A1 Crizotinib, a c-Met protein kinase inhibitor anticancer agent; 3-[(R)-1-(2,6-dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine is crizotinib ALK, MET, ERBB2 MET 2/4885JAK2 192/4885MAP4K3 78/4885
US-20140357613-A1 Aminoheteroaryl compounds and preparation method and use thereof MET, HGF, HDGF MET 1/4885JAK2 80/4885MAP4K3 704/4885
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA MET 1/4885JAK2 342/4885MAP4K3 14/4885
US-20050009840-A1 2-amino- pyridines and pyrazines additionally substituted witn one or more carbocyclic or heterocyclic groups, e.g., 4-[6-amino-5-(2,6-dichloro-benzyloxy)-pyridin-3-yl]-phenol, for treating many kinds of cancer MET, ERBB2, CDK4 MET 1/4885JAK2 8/4885MAP4K3 56/4885
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885JAK2 287/4885MAP4K3 8/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885JAK2 350/4885MAP4K3 24/4885

“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.