SCHEMBL2522792

SCHEMBL2522792

Oc1cccc(CNc2nc(Nc3cccc(CCBr)c3)ncc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.56
JAK3 P52333 5/20 0.52
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
TTK P33981 3/20 0.51
NTRK3 Q16288 1/20 0.51
NTRK2 Q16620 1/20 0.51
TYK2 P29597 1/20 0.49
SYK P43405 1/20 0.48

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
SCHEMBL2518905 0.94 NTRK1 (0.54) NTRK1JAK3JAK2JAK1TTK
SCHEMBL2514449 0.92 STAT6 (0.50) NTRK1JAK3SYK
SCHEMBL2517692 0.92 NTRK1 (0.58) NTRK1JAK3JAK2JAK1TTK
SCHEMBL2515605 0.90 NTRK1 (0.63) NTRK1JAK3JAK2JAK1TTK
SCHEMBL2514447 0.90 CTSC (0.51) NTRK1SYK
SCHEMBL2521277 0.86 STAT6 (0.49) NTRK1SYK
SCHEMBL2520946 0.86 STAT6 (0.50) NTRK1JAK3SYK
SCHEMBL2517683 0.85 NTRK1 (0.48) NTRK1JAK3JAK2JAK1TTK
SCHEMBL2515965 0.84 CTSC (0.51) NTRK1SYK
SCHEMBL3712179 0.82 STK17A (0.51) NTRK1JAK2NTRK3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-8765727-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-10-13 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 US disclosed
WO-2010085597-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2010-07-29 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 (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-20110251215-A9 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NTRK1 1080/4885JAK3 4/4885JAK2 1/4885
US-20100190804-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK NTRK1 1080/4885JAK3 4/4885JAK2 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.