SCHEMBL2586716

SCHEMBL2586716

COc1ccc(F)cc1[C@@H](C)Oc1cc(Br)cnc1N

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.64
JAK2 O60674 11/20 0.55
JAK1 P23458 2/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
MET P08581 1/20 0.54

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
SCHEMBL15140053 1.00 ALK (0.64) ALKJAK2JAK1TYK2JAK3
SCHEMBL2592143 0.88 ALK (0.62) ALKJAK2JAK1TYK2JAK3
SCHEMBL15140258 0.88 ALK (0.62) ALKJAK2JAK1TYK2JAK3
SCHEMBL26916840 0.87 MET (0.52) ALKJAK2JAK1TYK2JAK3
SCHEMBL26916845 0.87 MET (0.52) ALKJAK2JAK1TYK2JAK3
SCHEMBL2585101 0.86 JAK2 (0.71) JAK2JAK1TYK2JAK3MET
SCHEMBL30142928 0.86 JAK2 (0.71) JAK2JAK1TYK2JAK3MET
SCHEMBL24828662 0.85 JAK2 (0.54) ALKJAK2JAK1TYK2JAK3
SCHEMBL15273940 0.85 JAK2 (0.54) ALKJAK2JAK1TYK2JAK3
SCHEMBL17310028 0.85 JAK2 (0.54) ALKJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-8916593-B2 Alkoxy-substituted 2-aminopyridines as ALK inhibitors PFIZER INC. (US) 2014-12-23 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 US disclosed
EP-2566858-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS Pfizer Inc. (US) 2013-03-13 EP disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 WO disclosed
WO-2011138751-A2 HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS PFIZER INC. (US) 2011-11-10 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 (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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 ALK 1/4885JAK2 1124/4885JAK1 2292/4885

“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.