SCHEMBL13633178

SCHEMBL13633178

Cc1cnc2nc1Nc1ccc(NC(=O)Nc3ccccc3C(F)(F)F)c(c1)CCc1cccc(c1)N2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PTK2 Q05397 1/20 0.40
PTK2B Q14289 1/20 0.40
JAK2 O60674 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 3/20 0.38
CXCR2 P25025 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 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
SCHEMBL13633043 0.93 ALK (0.44) ALKTSHRALDH1A1PTK2PTK2B
SCHEMBL4355241 0.90 ALK (0.53) ALKTSHRALDH1A1JAK2KDM4E
SCHEMBL13634074 0.88 ALK (0.41) ALKPTK2PTK2BJAK2MEN1
SCHEMBL13633116 0.88 MEN1 (0.48) ALKMEN1KMT2ATRPV1HTT
SCHEMBL13633048 0.87 ALK (0.45) ALKALDH1A1JAK2KDM4EMEN1
SCHEMBL13633117 0.86 ALK (0.48) ALKJAK2
SCHEMBL13633019 0.86 ALK (0.44) ALKALDH1A1JAK2MEN1KMT2A
SCHEMBL13634077 0.85 ALK (0.46) ALKJAK2
SCHEMBL13632896 0.85 ALK (0.44) ALKJAK2MEN1KMT2A
SCHEMBL13633050 0.85 ALK (0.41) ALKTSHRALDH1A1JAK2MEN1

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 3/4885TSHR 1918/4885ALDH1A1 2511/4885

“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.