SCHEMBL1900138

SCHEMBL1900138

C[C@@H](Oc1nc(-c2ccc(C(=O)N3CCNCC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 1/20 0.62
MET P08581 11/20 0.59
JAK2 O60674 2/20 0.53
KCNH2 Q12809 1/20 0.52
ALK Q9UM73 4/20 0.51
CHEK2 O96017 1/20 0.49
ATR Q13535 1/20 0.49
MAP4K2 Q12851 1/20 0.49
MAP3K1 Q13233 1/20 0.49
AAK1 Q2M2I8 1/20 0.49
Q6ZSR9 Q6ZSR9 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49

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
SCHEMBL3243135 1.00 MAP4K3 (0.62) MAP4K3METJAK2KCNH2ALK
SCHEMBL489251 0.91 MET (0.64) MAP4K3METKCNH2ALKATR
SCHEMBL30454392 0.91 MET (0.64) MAP4K3METKCNH2ALKATR
SCHEMBL13276216 0.90 MET (0.56) MAP4K3METJAK2CHEK2MAP4K2
SCHEMBL488862 0.89 MET (0.74) MAP4K3METJAK2ALKCHEK2
SCHEMBL30454746 0.89 MET (0.74) MAP4K3METJAK2ALKCHEK2
SCHEMBL3235697 0.88 MET (0.54) MAP4K3METKCNH2CHEK2ATR
SCHEMBL488829 0.88 MET (0.61) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL30454879 0.88 MET (0.61) MAP4K3METCHEK2MAP4K2MAP3K1
SCHEMBL3121347 0.88 MET (0.54) MAP4K3METKCNH2CHEK2ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US claimed
EP-1786785-B9 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2013-05-22 EP claimed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 US claimed
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) AGOURON PHARMACEUTICALS, INC. 2010-12-23 US claimed
EP-1786785-B1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-04-07 EP claimed
EP-1786785-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP claimed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO claimed
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 claimed
EP-2315601-B1 COMBINATION OF A C-MET ANTAGONIST AND AN AMINOHETEROARYL COMPOUND FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2018-02-14 EP disclosed
US-9375425-B2 Combination of a C-Met antagonist and an aminoheteroaryl compound for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2016-06-28 US disclosed
US-20150250780-A1 COMBINATION OF A C-MET ANTAGONIST AND AN AMINOHETEROARYL COMPOUND FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-09-10 US disclosed
US-9011865-B2 Combination of a c-Met antagonist and an aminoheteroaryl compound for the treatment of cancer Pierre Gabre Medicament (FR) 2015-04-21 US disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
EP-1786785-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP disclosed
EP-1786777-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 EP disclosed
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-08-10 US disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 WO 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-2006021886-A1 AMINOHETEROARYL COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 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 (6 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-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 MAP4K3 78/4885MET 2/4885JAK2 192/4885
US-20100324061-A1 including crizotinib which is 3-[(R)-1-(2-chloro-3,6-difluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine; c-met inhibitors; hepatocyte growth factor (HGF) receptor (c-MET) receptor tyrosine kinase (RTK) MET, HGF, ALK MAP4K3 147/4885MET 1/4885JAK2 97/4885
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MAP4K3 24/4885MET 1/4885JAK2 350/4885
US-20150250780-A1 COMBINATION OF A C-MET ANTAGONIST AND AN AMINOHETEROARYL COMPOUND FOR THE TREATMENT OF CANCER MET, HGF, EGFR MAP4K3 1607/4885MET 1/4885JAK2 330/4885
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA MAP4K3 14/4885MET 1/4885JAK2 342/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MAP4K3 24/4885MET 1/4885JAK2 350/4885

“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.