SCHEMBL9280439

SCHEMBL9280439

CNC(=O)c1cc(Br)ccc1Nc1nc(Nc2ccc(CCCC[PH](=O)O)cc2OC)ncc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.55
▸ LRRK2 Q5S007 8/20 0.50
▸ ALK Q9UM73 9/20 0.48
▸ JAK2 O60674 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ PTK2B Q14289 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ FGFR1 P11362 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
SCHEMBL9275239 0.89 PTK2 (0.49) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL9277665 0.86 PTK2 (0.50) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL2637106 0.86 PTK2 (0.68) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL2637895 0.85 PTK2 (0.55) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL9280448 0.85 PTK2 (0.51) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL9277126 0.83 PTK2 (0.51) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL2035820 0.83 PTK2 (0.52) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL9280420 0.82 PTK2 (0.52) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL31260508 0.81 PTK2 (0.71) PTK2LRRK2ALKJAK2NTRK1
SCHEMBL9275692 0.80 LRRK2 (0.48) PTK2LRRK2ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646448-B1 MACROCYCLIC KINASE INHIBITORS OSI PHARMACEUTICALS LLC (US) 2017-08-30 — — EP disclosed
US-9133224-B2 Macrocyclic kinase inhibitors OSI Pharmaceuticals, LLC (US) 2015-09-15 — — US disclosed
EP-2646448-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-09 — — EP disclosed
US-20130261086-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2013-10-03 — — US disclosed
WO-2012074951-A1 MACROCYCLIC KINASE INHIBITORS OSI Pharmaceuticals, LLC (US) 2012-06-07 — — 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-20130261086-A1 MACROCYCLIC KINASE INHIBITORS PTK2, SRC, PTK2B PTK2 1/4885LRRK2 707/4885ALK 354/4885

“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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