Sugi Predict

Sugi Predict / Compounds / SCHEMBL3110705

SCHEMBL3110705

SCHEMBL3110705

CCOc1ccc(Cl)c(C(C)Oc2cc(-c3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cnc2N)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 15/20 0.58
▸ ALK Q9UM73 4/20 0.45
▸ MAP4K2 Q12851 1/20 0.44
▸ MAP3K1 Q13233 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ Q6ZSR9 Q6ZSR9 1/20 0.44
▸ MAP4K5 Q9Y4K4 1/20 0.44
▸ JAK2 O60674 1/20 0.44

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
SCHEMBL3117593 0.89 MET (0.72) METALKMAP4K2MAP3K1AAK1
SCHEMBL1905237 0.89 MET (0.72) METALKMAP4K2MAP3K1AAK1
SCHEMBL3125355 0.88 MET (0.53) METALKMAP4K2MAP3K1AAK1
SCHEMBL5930748 0.88 MET (0.64) METALKMAP4K2MAP3K1AAK1
SCHEMBL13455063 0.86 MET (0.51) METALKMAP4K2MAP3K1AAK1
SCHEMBL12993476 0.86 MET (0.58) METALKMAP4K2MAP3K1AAK1
SCHEMBL16125996 0.84 MET (0.71) METALKMAP4K2MAP3K1AAK1
SCHEMBL488093 0.80 MET (0.74) METALKMAP4K2MAP3K1AAK1
SCHEMBL30452808 0.80 MET (0.74) METALKMAP4K2MAP3K1AAK1
SCHEMBL5254616 0.80 MET (0.65) METALKJAK2

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 16 patents. 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 disclosed
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2014-09-25 — — US disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
US-8785632-B2 Enantiomerically pure aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. (US) 2014-07-22 — — US disclosed
EP-1786785-B9 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2013-05-22 — — EP disclosed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 — — US disclosed
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. 2012-10-18 — — US disclosed
US-7858643-B2 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. (US) 2010-12-28 — — US disclosed
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 disclosed
EP-1786785-B1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-04-07 — — EP 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 (5 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 MET 2/4885ALK 1/4885MAP4K2 39/4885
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 MET 1/4885ALK 3/4885MAP4K2 99/4885
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885ALK 190/4885MAP4K2 12/4885
US-20060178374-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, CDC42BPA MET 1/4885ALK 100/4885MAP4K2 12/4885
US-20140288086-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885ALK 190/4885MAP4K2 12/4885

“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.