SCHEMBL13622663

SCHEMBL13622663

COc1cccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.48
RORC P51449 2/20 0.37
MAPT P10636 2/20 0.37
KCNT1 Q5JUK3 1/20 0.37
CHRM5 P08912 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP5 P45974 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL4361782 0.96 ALK (0.45) ALKRORCCHRM5L3MBTL1ALDH1A1
SCHEMBL4363845 0.95 ALK (0.42) ALKRORCMAPTKCNT1CHRM5
SCHEMBL13622667 0.94 ALK (0.49) ALKRORCPKMALDH1A1POLB
SCHEMBL13633112 0.94 ALK (0.40) ALKRORCMAPTCHRM5THRB
SCHEMBL13622647 0.91 ALK (0.51) ALKKMT2A
Trifluoroacetic Acid SCHEMBL4361963 0.91 ALK (0.39) ALKRORCCHRM5L3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL4360852 0.90 ALK (0.45) ALKRORCMAPTPKMALDH1A1
SCHEMBL13634059 0.89 ALK (0.36) ALKRORCMAPTKCNT1CHRM5
SCHEMBL1075032 0.89 ALK (0.53) ALK
SCHEMBL4358164 0.89 ALK (0.48) ALKPOLBSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 3/4885RORC 963/4885MAPT 3239/4885

“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.