SCHEMBL13633000

SCHEMBL13633000

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(C(=O)c4ccncc4)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.41
JAK2 O60674 1/20 0.39
TACR2 P21452 2/20 0.37
TACR1 P25103 2/20 0.37
CSF1R P07333 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
DDR1 Q08345 1/20 0.34
FASN P49327 1/20 0.33
SYK P43405 3/20 0.33
VNN1 O95497 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL13633163 0.94 ALK (0.40) ALKJAK2TACR2TACR1CSF1R
SCHEMBL13633002 0.93 ALK (0.40) ALKJAK2TACR2TACR1DDR1
SCHEMBL1075174 0.92 ALK (0.50) ALKJAK2TACR2TACR1
SCHEMBL13633156 0.91 ALK (0.40) ALKJAK2TACR2TACR1
SCHEMBL13632985 0.91 ALK (0.44) ALKJAK2TACR2TACR1CSF1R
SCHEMBL13633104 0.89 ALK (0.43) ALKJAK2TACR2TACR1PTK2
SCHEMBL13632928 0.89 ALK (0.42) ALKJAK2TACR2TACR1PTK2
SCHEMBL4357170 0.88 ALK (0.40) ALKJAK2TACR2TACR1
Trifluoroacetic Acid SCHEMBL4357947 0.87 ALK (0.46) ALKJAK2TACR2TACR1
SCHEMBL13633251 0.87 JAK2 (0.41) ALKJAK2

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 1/4885TACR2 3473/4885

“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.