SCHEMBL13623298

SCHEMBL13623298

COC(=O)Cn1c(=O)oc2c(C#Cc3cccc(NC(=O)OC(C)(C)C)c3)cc([N+](=O)[O-])cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CBX7 O95931 1/20 0.36
RECQL P46063 1/20 0.36
CDYL2 Q8N8U2 1/20 0.36
CDYL Q9Y232 1/20 0.36
CDY1; CDY1B Q9Y6F8 1/20 0.36
GNRHR P30968 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4359159 0.93 SIRT2 (0.38) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL4359152 0.93 SIRT2 (0.38) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13623304 0.86 SIRT2 (0.36) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13622531 0.75 MEN1 (0.47) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL4357169 0.75 MEN1 (0.33) MEN1KMT2ASMN1; SMN2PKMMAPT
SCHEMBL4357175 0.75 MEN1 (0.33) MEN1KMT2ASMN1; SMN2PKMMAPT
SCHEMBL13622511 0.74 MMP1 (0.45) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL1025393 0.74 MEN1 (0.43) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL1026551 0.72 MEN1 (0.49) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13623213 0.72 MAPT (0.46) SIRT2MEN1KMT2ASMN1; SMN2MAPT

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-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

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 SIRT2 4221/4885MMP1 3919/4885MMP2 4311/4885

“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.