SCHEMBL3386195

SCHEMBL3386195

CC(Oc1cccnc1N)c1cc(F)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.53
▸ MET P08581 1/20 0.51
▸ ALK Q9UM73 8/20 0.48
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ JAK3 P52333 1/20 0.46

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
SCHEMBL15140533 0.86 MET (0.60) JAK2METALKJAK1TYK2
SCHEMBL24006750 0.85 JAK2 (0.54) JAK2METALKJAK1TYK2
SCHEMBL28380654 0.85 JAK2 (0.69) JAK2METJAK1TYK2JAK3
SCHEMBL24006736 0.85 JAK2 (0.54) JAK2METALKJAK1TYK2
SCHEMBL15140610 0.84 ALK (0.58) JAK2METALKJAK1TYK2
SCHEMBL15273697 0.84 JAK2 (0.53) JAK2METALKJAK1TYK2
SCHEMBL30228047 0.84 JAK2 (0.53) JAK2METALKJAK1TYK2
SCHEMBL2592205 0.84 ALK (0.58) JAK2METALKJAK1TYK2
SCHEMBL15273623 0.84 JAK2 (0.53) JAK2METALKJAK1TYK2
SCHEMBL2589827 0.81 JAK2 (0.54) JAK2ALKJAK1TYK2JAK3

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 4 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-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-08-01 — — US disclosed
EP-1784396-B1 PYRAZOLE-SUBSTITUTED AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER (US) 2010-12-22 — — EP disclosed
US-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors AGOURON PHARMACEUTICALS, INC. 2006-06-15 — — 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 (2 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-20060128724-A1 Pyrazole-substituted aminoheteroaryl compounds as protein kinase inhibitors MET, MAP3K15, MAP3K19 JAK2 249/4885MET 1/4885ALK 136/4885
US-20130196952-A1 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, ACVR1 JAK2 1124/4885MET 21/4885ALK 1/4885

“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.

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