SCHEMBL13623304

SCHEMBL13623304

CC(C)(C)OC(=O)Nc1cccc(C#Cc2cc([N+](=O)[O-])cc3c2oc(=O)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
GNRHR P30968 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
BCL2 P10415 2/20 0.32
BECN1 Q14457 2/20 0.32
KDR P35968 2/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
P2RY6 Q15077 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CA12 O43570 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
SCHEMBL4357175 0.90 MEN1 (0.33)
SCHEMBL4357169 0.90 MEN1 (0.33)
SCHEMBL4359159 0.87 SIRT2 (0.38) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL4359152 0.87 SIRT2 (0.38) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13623298 0.86 SIRT2 (0.38) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL1026372 0.73 LMNA (0.40) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13623302 0.73 TLR7 (0.38) SIRT2CA12CA1CA9CYP17A1
SCHEMBL13622511 0.72 MMP1 (0.45) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL13622531 0.71 MEN1 (0.47) SIRT2MMP1MMP2MMP9MMP8
SCHEMBL1025393 0.70 MEN1 (0.43) SIRT2MMP1MMP2MMP9MMP8

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.