SCHEMBL4356608

SCHEMBL4356608

COc1ccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 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
ALK Q9UM73 7/20 0.41
RORC P51449 2/20 0.39
CCR6 P51684 2/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
PKM P14618 2/20 0.37
KCNT1 Q5JUK3 1/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 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
Trifluoroacetic Acid SCHEMBL4356274 0.96 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL13622667 0.93 ALK (0.49) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL4363845 0.93 ALK (0.42) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL1075371 0.91 ALK (0.43) ALDH1A1ALKJAK2JAK1TYK2
SCHEMBL1075290 0.90 ALK (0.44) SMN1; SMN2ALKRORCJAK2JAK1
SCHEMBL1074654 0.90 ALK (0.44) ALDH1A1ALKRORCJAK2JAK1
SCHEMBL4353779 0.90 ALK (0.41) ALKCCR6JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4360852 0.89 ALK (0.45) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4361963 0.89 ALK (0.39) SMN1; SMN2ALDH1A1POLBCYP3A4CYP2D6
SCHEMBL4361345 0.89 JAK2 (0.44) ALKRORCJAK2JAK1TYK2

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 7 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 claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
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
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 SMN1; SMN2 4274/4885ALDH1A1 2511/4885POLB 2346/4885

“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.