SCHEMBL13623313

SCHEMBL13623313

CC(C)(C)OC(=O)COc1ccc(N)cc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C19 P33261 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACLY P53396 2/20 0.37
NR1H2 P55055 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
SCHEMBL8770542 0.87 ALDH1A1 (0.45) MAPK1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL4856493 0.84 LMNA (0.47) MAPK1KDM4EALDH1A1MEN1TSHR
SCHEMBL4855128 0.83 MAPK1 (0.51) MAPK1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL1531316 0.83 GAA (0.53) MAPK1KDM4EALDH1A1MEN1TSHR
SCHEMBL1370592 0.83 PTGDR2 (0.49) MAPK1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL8770380 0.83 AAK1 (0.40) MAPK1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL24589139 0.80 ALDH1A1 (0.38) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL13665133 0.80 ALDH1A1 (0.50) MAPK1HPGDKDM4EALDH1A1HSD17B10
SCHEMBL12145899 0.79 POLB (0.44) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL13623312 0.79 PTGDR2 (0.44) HPGDALDH1A1MEN1KMT2APTGDR2

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
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 MAPK1 55/4885HPGD 4536/4885KDM4E 248/4885

“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.