SCHEMBL13623226

SCHEMBL13623226

CNC1CCN(c2ccc([N+](=O)[O-])cc2C#Cc2cccc(NC(=O)OC(C)(C)C)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 2/20 0.38
DRD2 P14416 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
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
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
HTT P42858 1/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 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
SCHEMBL4367036 0.92 SIRT2 (0.40) SIRT2ALDH1A1MAPTDRD2CCNC
SCHEMBL4367032 0.92 SIRT2 (0.40) SIRT2ALDH1A1MAPTDRD2CCNC
SCHEMBL13623216 0.86 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL13623213 0.85 MAPT (0.46) SIRT2ALDH1A1MAPTLMNAKMT2A
SCHEMBL1028056 0.82 MMP1 (0.37) SIRT2ALDH1A1DRD2MMP1MMP2
SCHEMBL1028055 0.82 MMP1 (0.37) SIRT2ALDH1A1DRD2MMP1MMP2
SCHEMBL13622511 0.79 MMP1 (0.45) SIRT2ALDH1A1MAPTLMNAPKM
SCHEMBL1026372 0.78 LMNA (0.40) SIRT2ALDH1A1MAPTLMNAMMP1
SCHEMBL13622531 0.78 MEN1 (0.47) SIRT2ALDH1A1MAPTLMNAPKM
SCHEMBL1025393 0.76 MEN1 (0.43) SIRT2ALDH1A1MAPTLMNAMMP1

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 2 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

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 4221/4885ALDH1A1 2511/4885MAPT 3239/4885

“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.