SCHEMBL13633248

SCHEMBL13633248

Cc1cnc2nc1Nc1ccc(NC(=O)C[C@@H]3CCN(C(=O)Nc4ccccc4F)C3)c(c1)CCc1cncc(c1)N2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
ALK Q9UM73 3/20 0.34
JAK2 O60674 2/20 0.34
THRB P10828 2/20 0.33
FAAH O00519 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KDM4E B2RXH2 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
RAB9A P51151 3/20 0.31
NPC1 O15118 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GAA P10253 2/20 0.31
OPRM1 P35372 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 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
SCHEMBL1074509 0.93 ALK (0.40) TACR2TACR1ALKJAK2THRB
SCHEMBL1075525 0.93 ALK (0.40) TACR2TACR1ALKJAK2THRB
SCHEMBL13633148 0.90 RAB9A (0.34) TACR2TACR1ALKJAK2JAK1
SCHEMBL13633015 0.90 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13632990 0.90 JAK2 (0.37) TACR2TACR1ALKJAK2THRB
Trifluoroacetic Acid SCHEMBL4359103 0.90 ALK (0.38) TACR2TACR1ALKJAK2THRB
Trifluoroacetic Acid SCHEMBL4352426 0.90 ALK (0.38) TACR2TACR1ALKJAK2THRB
SCHEMBL4360953 0.89 ALK (0.41) TACR2TACR1ALKJAK2THRB
SCHEMBL13633107 0.89 ALK (0.36) ALKJAK2JAK1TYK2JAK3
SCHEMBL13633096 0.89 FAAH (0.36) ALKJAK2FAAH

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 TACR2 3473/4885TACR1 4290/4885ALK 3/4885

“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.