SCHEMBL13622667

SCHEMBL13622667

COc1ccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.49
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CCR6 P51684 2/20 0.39
RORC P51449 1/20 0.39
PKM P14618 3/20 0.39

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 SCHEMBL4360852 0.96 ALK (0.45) ALKALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL13622663 0.94 ALK (0.48) ALKALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL13634050 0.93 ALK (0.41) ALKALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL4356608 0.93 SMN1; SMN2 (0.41) ALKALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL13622647 0.92 ALK (0.51) ALK
SCHEMBL13669865 0.91 ALK (0.49) ALK
Trifluoroacetic Acid SCHEMBL4361782 0.90 ALK (0.45) ALKALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL1075032 0.90 ALK (0.53) ALK
SCHEMBL13622651 0.90 ALK (0.49) ALKCCR6
Trifluoroacetic Acid SCHEMBL4356274 0.89 SMN1; SMN2 (0.43) ALKALDH1A1SMN1; SMN2POLBCYP3A4

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 3/4885ALDH1A1 2511/4885SMN1; SMN2 4274/4885

“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.