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SCHEMBL487959

SCHEMBL487959

CCN(CC)CCS(=O)(=O)Nc1ccc(-c2cnc(N)c(OCc3c(F)ccc(F)c3Cl)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.45
▸ JAK2 O60674 2/20 0.40
▸ MAP4K3 Q8IVH8 1/20 0.40
▸ RIPK2 O43353 4/20 0.39
▸ BRAF P15056 3/20 0.38
▸ ALK Q9UM73 3/20 0.37
▸ EGFR P00533 2/20 0.36
▸ ROS1 P08922 2/20 0.36
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NOD2 Q9HC29 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL30453227 1.00 MET (0.45) METJAK2MAP4K3RIPK2BRAF
SCHEMBL30454728 0.91 MET (0.46) METJAK2MAP4K3RIPK2BRAF
SCHEMBL487665 0.91 MET (0.46) METJAK2MAP4K3RIPK2BRAF
SCHEMBL487815 0.91 MET (0.40) METJAK2MAP4K3RIPK2BRAF
SCHEMBL30453026 0.91 MET (0.40) METJAK2MAP4K3RIPK2BRAF
SCHEMBL488394 0.85 MET (0.50) METJAK2MAP4K3CYP2C9CYP2C19
SCHEMBL30453267 0.84 MET (0.53) METJAK2ALKROS1
SCHEMBL487871 0.84 MET (0.53) METJAK2ALKROS1
SCHEMBL488075 0.84 SGK1 (0.38) METPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30452448 0.84 SGK1 (0.38) METPIK3CDPIK3CAPIK3CBPIK3CG

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4695588-B2 — — 2011-06-08 — — JP claimed
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-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-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — US disclosed
US-8106197-B2 Aminoheteroaryl compounds as protein kinase inhibitors PFIZER INC. (US) 2012-01-31 — — 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
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
US-7230098-B2 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. (US) 2007-06-12 — — US disclosed
US-7230098-B2 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. (US) 2007-06-12 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US disclosed
US-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors SUGEN, INC. 2007-03-29 — — US 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 (4 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-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 1/4885JAK2 97/4885MAP4K3 147/4885
US-20120263706-A1 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS MET, MAP3K15, MAP3K1 MET 1/4885JAK2 350/4885MAP4K3 24/4885
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.