SCHEMBL1074453

SCHEMBL1074453

O=C(NCc1ccco1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 6/20 0.44
JAK1 P23458 6/20 0.44
TYK2 P29597 6/20 0.44
JAK3 P52333 6/20 0.44
ALK Q9UM73 7/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
GAA P10253 2/20 0.38
EPHX2 P34913 1/20 0.38
MMP2 P08253 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
LMNA P02545 1/20 0.36

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 SCHEMBL4358126 0.95 ALK (0.41) NPC1ALOX15RAB9ASMN1; SMN2JAK2
SCHEMBL4370100 0.93 ALK (0.52) NPC1ALOX15RAB9ASMN1; SMN2JAK2
SCHEMBL13633054 0.92 GAA (0.43) NPC1ALOX15RAB9ASMN1; SMN2JAK2
SCHEMBL13633177 0.83 GAA (0.44) NPC1ALOX15RAB9ASMN1; SMN2JAK2
SCHEMBL1075946 0.83 JAK2 (0.53) JAK2JAK1TYK2JAK3ALK
SCHEMBL1075611 0.83 ALK (0.53) JAK2JAK1TYK2JAK3ALK
SCHEMBL1075467 0.82 JAK2 (0.53) JAK2JAK1TYK2JAK3ALK
SCHEMBL4480787 0.81 JAK2 (0.47) JAK2JAK1TYK2JAK3ALK
SCHEMBL13669897 0.80 NPC1 (0.41) NPC1ALOX15RAB9ASMN1; SMN2ALK
SCHEMBL1074350 0.80 ALK (0.53) JAK2JAK1TYK2JAK3ALK

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 7 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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

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 NPC1 2849/4885ALOX15 1480/4885RAB9A 1998/4885

“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.