SCHEMBL4357833

SCHEMBL4357833

O=C(C[C@H]1CCCN(c2nc3ccccc3s2)C1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.40
TP53 P04637 5/20 0.39
LMNA P02545 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 7/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL4361389 1.00 ALK (0.40) ALKTP53LMNAJAK2JAK1
SCHEMBL1076000 0.96 ALK (0.41) ALKTP53LMNAJAK2JAK1
SCHEMBL1074043 0.96 ALK (0.41) ALKTP53LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL4361867 0.96 ALK (0.37) ALKTP53LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL4356872 0.96 ALK (0.37) ALKTP53LMNAJAK2JAK1
SCHEMBL1074011 0.94 ALK (0.41) ALKTP53JAK2JAK1TYK2
SCHEMBL4361694 0.92 ALK (0.42) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4359193 0.92 ALK (0.38) ALKTP53LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL4359141 0.92 ALK (0.38) ALKTP53LMNAJAK2JAK1
Trifluoroacetic Acid SCHEMBL4362705 0.90 ALK (0.38) ALKTP53JAK2JAK1TYK2

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 5 patents. 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 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

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 3/4885TP53 805/4885LMNA 4393/4885

“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.