SCHEMBL13633177

SCHEMBL13633177

Cc1cnc2nc1Nc1ccc(NC(=O)NCc3ccco3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
JAK2 O60674 1/20 0.43
ALK Q9UM73 2/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP2 P08253 1/20 0.38
KIT P10721 1/20 0.37

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
SCHEMBL13633054 0.92 GAA (0.43) GAAJAK2TSHRLMNARAB9A
SCHEMBL4370100 0.91 ALK (0.52) JAK2ALKTSHRRAB9ASMN1; SMN2
SCHEMBL13634016 0.90 JAK2 (0.43) JAK2ALKRAB9ANPC1
SCHEMBL13634077 0.88 ALK (0.46) JAK2ALK
SCHEMBL13632966 0.85 ALK (0.43) JAK2ALKHTTALDH1A1
SCHEMBL13632963 0.85 ALK (0.44) JAK2ALK
SCHEMBL13633117 0.85 ALK (0.48) JAK2ALK
SCHEMBL1074453 0.83 NPC1 (0.44) GAAJAK2ALKTSHRLMNA
SCHEMBL13633183 0.83 ALK (0.42) JAK2ALK
SCHEMBL13633058 0.83 ALK (0.42) JAK2ALKLMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 2377/4885JAK2 1/4885ALK 3/4885

“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.