SCHEMBL13633105

SCHEMBL13633105

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(S(N)(=O)=O)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.43
JAK2 O60674 3/20 0.40
PTK2 Q05397 1/20 0.34
PTK2B Q14289 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNT1 Q5JUK3 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RORC P51449 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CYP3A4 P08684 2/20 0.30
JAK1 P23458 2/20 0.30
TYK2 P29597 2/20 0.30
FLT3 P36888 2/20 0.30
JAK3 P52333 2/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL13633106 0.92 ALK (0.41) ALKJAK2PTK2PTK2BL3MBTL1
SCHEMBL13633020 0.92 ALK (0.41) ALKJAK2PTK2PTK2BL3MBTL1
SCHEMBL1076794 0.91 ALK (0.52) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633993 0.90 ALK (0.41) ALKJAK2PTK2PTK2BL3MBTL1
SCHEMBL13632985 0.90 ALK (0.44) ALKJAK2PTK2PTK2BHDAC1
SCHEMBL13633024 0.89 ALK (0.41) ALKJAK2PTK2PTK2BL3MBTL1
SCHEMBL13634050 0.89 ALK (0.41) ALKJAK2RORCSMN1; SMN2CYP3A4
SCHEMBL13633112 0.88 ALK (0.40) ALKJAK2L3MBTL1RORCSMN1; SMN2
SCHEMBL13633104 0.88 ALK (0.43) ALKJAK2PTK2PTK2BHDAC1
SCHEMBL13632928 0.88 ALK (0.42) ALKJAK2PTK2PTK2BCDK2

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 ALK 3/4885JAK2 1/4885PTK2 527/4885

“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.