SCHEMBL13633196

SCHEMBL13633196

Cc1cnc2nc1Nc1ccc(NC(=O)NCCN3CCCCC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.53
JAK2 O60674 3/20 0.52
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
FLT3 P36888 2/20 0.40
JAK3 P52333 2/20 0.40
CYP2D6 P10635 1/20 0.40
CDK2 P24941 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
GAA P10253 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL13633120 0.99 ALK (0.53) ALKJAK2MEN1KMT2APOLB
SCHEMBL13633034 0.93 ALK (0.46) ALKJAK2MEN1KMT2ACYP3A4
SCHEMBL13634075 0.92 JAK2 (0.49) ALKJAK2MEN1KMT2ACYP3A4
SCHEMBL4363391 0.91 ALK (0.65) ALKJAK2MEN1KMT2AJAK1
SCHEMBL4358080 0.90 ALK (0.66) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633122 0.89 ALK (0.45) ALKJAK2MEN1KMT2ACYP3A4
SCHEMBL13633183 0.87 ALK (0.42) ALKJAK2JAK1TYK2FLT3
Trifluoroacetic Acid SCHEMBL4359450 0.86 ALK (0.59) ALKJAK2MEN1KMT2AJAK1
SCHEMBL13634077 0.86 ALK (0.46) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633121 0.86 ALK (0.43) ALKJAK2METAP2

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.