SCHEMBL13633256

SCHEMBL13633256

Cc1cnc2nc1Nc1ccc(OCC(=O)N3CCN(c4ccccc4C#N)CC3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
ALK Q9UM73 5/20 0.44
HTR1A P08908 2/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 1/20 0.43
JAK2 O60674 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MTOR P42345 1/20 0.37
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL1075305 0.92 ALK (0.51) THRBALKHTR1AHTR1DHTR1B
SCHEMBL13633095 0.91 KDM4E (0.45) THRBALKJAK2TP53MAPT
SCHEMBL13633021 0.90 LMNA (0.49) THRBALKJAK2MAPTLMNA
SCHEMBL13633097 0.89 ALK (0.43) ALKJAK2LMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4356133 0.88 ALK (0.47) THRBALKHTR1AHTR1DHTR1B
SCHEMBL13633257 0.85 ALK (0.41) ALKJAK2LMNAMEN1KMT2A
SCHEMBL1075498 0.84 ALK (0.48) ALKJAK2TP53ALDH1A1MEN1
SCHEMBL13634112 0.84 ALK (0.41) ALKJAK2MAPTLMNAALDH1A1
SCHEMBL4354300 0.83 ALK (0.54) THRBALKTP53MAPTLMNA
SCHEMBL1075575 0.82 ALK (0.48) ALKJAK2TP53ALDH1A1MEN1

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 THRB 2303/4885ALK 3/4885HTR1A 4624/4885

“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.