SCHEMBL13623216

SCHEMBL13623216

CN1CCN(c2ccc([N+](=O)[O-])cc2C#Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
WDR5 P61964 11/20 0.48
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL13623213 0.90 MAPT (0.46) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL13623226 0.86 SIRT2 (0.40) ALDH1A1POLBKMT2AGAAHTT
SCHEMBL4367036 0.85 SIRT2 (0.40) ALDH1A1POLBKMT2AHTTLMNA
SCHEMBL4367032 0.85 SIRT2 (0.40) ALDH1A1POLBKMT2AHTTLMNA
SCHEMBL1026372 0.84 LMNA (0.40) ALDH1A1POLBKMT2ALMNAMAPT
SCHEMBL13622511 0.83 MMP1 (0.45) ALDH1A1POLBKMT2AGAAHTT
SCHEMBL13622531 0.82 MEN1 (0.47) ALDH1A1POLBKMT2AHTTLMNA
SCHEMBL1025393 0.81 MEN1 (0.43) ALDH1A1KMT2AHTTLMNAMAPT
SCHEMBL1028055 0.79 MMP1 (0.37) ALDH1A1POLBKMT2AWDR5
SCHEMBL1028056 0.79 MMP1 (0.37) ALDH1A1POLBKMT2AWDR5

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 ALDH1A1 2511/4885POLB 2346/4885KMT2A 382/4885

“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.