Sugi Predict

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SCHEMBL487665

SCHEMBL487665

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.46
▸ JAK2 O60674 1/20 0.41
▸ MAP4K3 Q8IVH8 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ RIPK2 O43353 3/20 0.39
▸ BRAF P15056 2/20 0.37
▸ EGFR P00533 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 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ PGR P06401 1/20 0.35

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
SCHEMBL30454728 1.00 MET (0.46) METJAK2MAP4K3ROS1ALK
SCHEMBL30453227 0.91 MET (0.45) METJAK2MAP4K3ROS1ALK
SCHEMBL487959 0.91 MET (0.45) METJAK2MAP4K3ROS1ALK
SCHEMBL487812 0.91 MET (0.41) METJAK2MAP4K3ROS1ALK
SCHEMBL30453720 0.91 MET (0.41) METJAK2MAP4K3ROS1ALK
SCHEMBL488394 0.86 MET (0.50) METJAK2MAP4K3CYP2C9CYP2C19
SCHEMBL488144 0.84 ALK (0.55) METJAK2ROS1ALK
SCHEMBL30453683 0.84 ALK (0.55) METJAK2ROS1ALK
SCHEMBL488262 0.84 MET (0.49) METJAK2MAP4K3RIPK2BRAF
SCHEMBL30452927 0.84 MET (0.49) METJAK2MAP4K3RIPK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4695588-B2 — — 2011-06-08 — — JP claimed
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-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 (1 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-20070072874-A1 Aminoheteroaryl compounds as protein kinase inhibitors MET, MAP4K1, MAP4K2 MET 1/4885JAK2 287/4885MAP4K3 8/4885

“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.