SCHEMBL13633251

SCHEMBL13633251

Cc1cnc2nc1Nc1ccc(NC(=O)C[C@H]3CCCN(C(=O)c4ccccc4)C3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.41
ALK Q9UM73 2/20 0.40
MAP3K12 Q12852 8/20 0.38
CCNK O75909 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PDE2A O00408 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL13633008 1.00 JAK2 (0.41) JAK2ALKMAP3K12CCNKCCNA2
SCHEMBL1074770 0.92 ALK (0.49) JAK2ALKMAP3K12
SCHEMBL1074658 0.92 ALK (0.49) JAK2ALKMAP3K12
SCHEMBL13633250 0.92 JAK2 (0.43) JAK2ALKCCNA2CDK2
Trifluoroacetic Acid SCHEMBL4363160 0.88 ALK (0.46) JAK2ALKMAP3K12
Trifluoroacetic Acid SCHEMBL4363049 0.88 ALK (0.46) JAK2ALKMAP3K12
SCHEMBL13633000 0.87 ALK (0.41) JAK2ALK
SCHEMBL1076244 0.86 ALK (0.42) JAK2ALKMAP3K12CCNKCCNA2
SCHEMBL1075839 0.86 ALK (0.42) JAK2ALKMAP3K12CCNKCCNA2
SCHEMBL13633002 0.86 ALK (0.40) JAK2ALKCCNKCCNA2CDK2

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 JAK2 1/4885ALK 3/4885MAP3K12 33/4885

“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.