SCHEMBL4353319

SCHEMBL4353319

O=C(Nc1cccc(F)c1)Nc1cc2cc(c1)Nc1nc(ncc1Cl)Nc1cccc(c1)CC2

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.49
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
STK26 Q9P289 1/20 0.45
STK24 Q9Y6E0 1/20 0.45
JAK2 O60674 11/20 0.44
JAK1 P23458 11/20 0.44
JAK3 P52333 11/20 0.44
TYK2 P29597 10/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL4361523 0.95 ALK (0.45) ALKRAB9ANPC1STK4STK3
SCHEMBL4359278 0.91 ALK (0.52) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4360863 0.88 ALK (0.48) ALKSTK4STK3STK26STK24
SCHEMBL4365357 0.88 ALK (0.48) ALKSTK4STK3STK26STK24
SCHEMBL13632965 0.86 ALK (0.50) ALKSTK4STK3STK26STK24
SCHEMBL4368492 0.86 ALK (0.55) ALKSTK4STK3STK26STK24
SCHEMBL4365390 0.84 ALK (0.49) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4356429 0.83 ALK (0.44) ALKSTK4STK3STK26STK24
SCHEMBL4361639 0.83 ALK (0.49) ALKRAB9ANPC1STK4STK3
SCHEMBL4360597 0.82 ALK (0.51) ALKSTK4STK3STK26STK24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885RAB9A 1998/4885NPC1 2849/4885

“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.