SCHEMBL13633155

SCHEMBL13633155

Cc1cnc2nc1Nc1ccc(NC(=O)C3CCN(C(=O)c4c(C)noc4C)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.40
JAK2 O60674 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
RORC P51449 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 4/20 0.36
USP2 O75604 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2D6 P10635 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP1A2 P05177 3/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL1075132 0.93 ALK (0.49) ALKJAK2MEN1KMT2ASMN1; SMN2
SCHEMBL13634103 0.89 ALK (0.41) ALKJAK2KMT2AALDH1A1CYP2D6
SCHEMBL13633102 0.87 ALDH1A1 (0.44) ALKJAK2ALDH1A1
SCHEMBL13634042 0.84 ALK (0.43) ALKJAK2HSD17B10TSHRPABPC1
SCHEMBL13634041 0.84 L3MBTL1 (0.41) ALKJAK2MEN1KMT2ASMN1; SMN2
SCHEMBL4360766 0.82 ALK (0.51) ALKJAK2
SCHEMBL13632936 0.81 ALK (0.40) ALKJAK2SMN1; SMN2
SCHEMBL13632984 0.81 ALK (0.44) ALKJAK2USP2
SCHEMBL13632930 0.81 ALDH1A1 (0.46) ALKJAK2MEN1KMT2AALDH1A1
SCHEMBL13632925 0.80 TSHR (0.42) ALKMEN1KMT2ASMN1; SMN2ALDH1A1

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 1/4885MEN1 1321/4885

“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.