SCHEMBL13633002

SCHEMBL13633002

Cc1cnc2nc1Nc1ccc(NC(=O)CC3CCN(C(=O)c4ccc(N)cc4)CC3)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.40
JAK2 O60674 1/20 0.38
TACR2 P21452 2/20 0.35
TACR1 P25103 2/20 0.35
CCNK O75909 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CDK7 P50613 1/20 0.32
CCNH P51946 1/20 0.32
MNAT1 P51948 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
ATR Q13535 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
JAK1 P23458 1/20 0.32
HTR1A P08908 1/20 0.31
TYRO3 Q06418 1/20 0.31
SYK P43405 1/20 0.31
DDR1 Q08345 1/20 0.31

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
SCHEMBL13633000 0.93 ALK (0.41) ALKJAK2TACR2TACR1SYK
SCHEMBL13669863 0.92 ALK (0.49) ALKJAK2TACR2TACR1JAK1
SCHEMBL13633163 0.90 ALK (0.40) ALKJAK2TACR2TACR1SYK
SCHEMBL13632985 0.89 ALK (0.44) ALKJAK2TACR2TACR1CCNA2
SCHEMBL13633104 0.88 ALK (0.43) ALKJAK2TACR2TACR1CDK2
SCHEMBL13632928 0.87 ALK (0.42) ALKJAK2TACR2TACR1CDK2
SCHEMBL4357170 0.87 ALK (0.40) ALKJAK2TACR2TACR1
SCHEMBL13633156 0.87 ALK (0.40) ALKJAK2TACR2TACR1
SCHEMBL13633105 0.87 ALK (0.43) ALKJAK2CDK2HDAC1HDAC2
SCHEMBL13632942 0.86 TACR2 (0.36) ALKJAK2TACR2TACR1JAK1

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.