SCHEMBL1025541

SCHEMBL1025541

CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1C#Cc1cccc(NC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
LMNA P02545 3/20 0.40

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
SCHEMBL1025542 1.00 MAPT (0.42) MAPTMEN1KMT2APKMHTT
SCHEMBL13622511 0.95 MMP1 (0.45) MAPTMEN1KMT2APKMHTT
SCHEMBL1022924 0.88 GAA (0.40) MAPTMEN1KMT2APKMHTT
SCHEMBL1022925 0.88 GAA (0.40) MAPTMEN1KMT2APKMHTT
SCHEMBL13622531 0.84 MEN1 (0.47) MAPTMEN1KMT2APKMHTT
SCHEMBL1023856 0.84 PKM (0.40) MAPTKMT2APKMHTTALDH1A1
SCHEMBL1023858 0.84 PKM (0.40) MAPTKMT2APKMHTTALDH1A1
SCHEMBL4334706 0.84 PTPN11 (0.40) ALDH1A1SIRT2
SCHEMBL1025393 0.83 MEN1 (0.43) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL13622742 0.82 PKM (0.41) MAPTKMT2APKMHTTALDH1A1

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 MAPT 3239/4885MEN1 1321/4885KMT2A 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.