SCHEMBL10247590

SCHEMBL10247590

CC(C)C(=O)OCn1ccc2c(-c3cn[nH]c3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
TPH1 P17752 1/20 0.36
NAMPT P43490 1/20 0.34
CYP3A4 P08684 1/20 0.33
PRMT5 O14744 1/20 0.33
MTOR P42345 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
PDPK1 O15530 1/20 0.32
P2RX7 Q99572 1/20 0.32
SCN9A Q15858 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
JAK1 P23458 1/20 0.32
CHUK O15111 1/20 0.32
PIK3CG P48736 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL871452 0.86 SIGMAR1 (0.39) SIGMAR1TPH1NAMPTPRMT5PDPK1
SCHEMBL30749810 0.86 SIGMAR1 (0.39) SIGMAR1TPH1NAMPTPRMT5PDPK1
SCHEMBL24902066 0.85 PTGS1 (0.40) TPH1
SCHEMBL24902056 0.82 TDP1 (0.41) TPH1
SCHEMBL24902073 0.82 SIGMAR1 (0.39) SIGMAR1TPH1NAMPTPRMT5PDPK1
SCHEMBL24902362 0.81 PTGS2 (0.43) TPH1CYP3A4
SCHEMBL24902867 0.81 PTGS1 (0.41) TPH1PRMT5ACACB
SCHEMBL13286173 0.80 SIGMAR1 (0.46) SIGMAR1TPH1PRMT5SCN9AJAK1
SCHEMBL30728849 0.80 SIGMAR1 (0.46) SIGMAR1TPH1PRMT5P2RX7SCN9A
SCHEMBL19075329 0.80 SIGMAR1 (0.46) SIGMAR1TPH1PRMT5P2RX7SCN9A

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-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-8420629-B2 Azetidine and cyclobutane derivatives as JAK inhibitors INCYTE CORPORATION (US) 2013-04-16 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 US disclosed
US-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2012-03-29 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-20120077798-A1 AZETIDINE AND CYCLOBUTANE DERIVATIVES AS JAK INHIBITORS JAK1, JAK2, JAK3 SIGMAR1 3743/4885TPH1 2361/4885NAMPT 3826/4885

“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.