SCHEMBL13622928

SCHEMBL13622928

CN(Cc1ccc(N)cc1I)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
SLC6A4 P31645 6/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
NR1H2 P55055 1/20 0.34
HTR2A P28223 1/20 0.34
RIPK1 Q13546 2/20 0.33
MCHR1 Q99705 1/20 0.33
GLS O94925 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
PDK2 Q15119 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL31468983 0.85 HTR2C (0.38) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8164937 0.82 HTR2C (0.38) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8169426 0.82 RIPK1 (0.46) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL8169606 0.82 SLC6A4 (0.42) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL18186254 0.82 HTR2C (0.38) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL545286 0.82 CACNA1G (0.47) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL5912956 0.82 HTR2C (0.36) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL13631348 0.82 SLC6A4 (0.38) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL1399430 0.81 HTR2C (0.43) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL7246130 0.81 MEN1 (0.42) HTR2CSLC6A4MTNR1AMTNR1BAAK1

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 3 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-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 HTR2C 4197/4885SLC6A4 4530/4885CACNA1G 3069/4885

“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.