SCHEMBL1075498

SCHEMBL1075498

N#Cc1cccnc1N1CCN(C(=O)COc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.48
KDM4E B2RXH2 6/20 0.45
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
HDAC2 Q92769 1/20 0.38
TP53 P04637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP1 P09874 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 SCHEMBL1075347 0.96 ALK (0.45) ALKKDM4EJAK2JAK1TYK2
SCHEMBL13633095 0.93 KDM4E (0.45) ALKKDM4EJAK2HDAC2TP53
SCHEMBL1075305 0.91 ALK (0.51) ALKJAK2JAK1TYK2JAK3
SCHEMBL4359575 0.89 ALK (0.49) ALKKDM4EJAK2JAK1TYK2
SCHEMBL4358095 0.88 ALK (0.54) ALKKDM4EJAK2JAK1TYK2
SCHEMBL1074434 0.87 ALK (0.53) ALKKDM4EJAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356133 0.87 ALK (0.47) ALKJAK2JAK1TYK2JAK3
SCHEMBL1076508 0.86 ALK (0.49) ALKJAK2JAK1TYK2JAK3
SCHEMBL1075184 0.86 KDM4E (0.52) ALKKDM4EJAK2JAK1TYK2
SCHEMBL1075575 0.86 ALK (0.48) ALKKDM4EJAK2JAK1TYK2

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 6 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
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO claimed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 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 3/4885KDM4E 248/4885JAK2 1/4885

“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.