SCHEMBL1025211

SCHEMBL1025211

O=C(O)Nc1cccc(C#Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
PAX8 Q06710 1/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46

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
SCHEMBL1025212 1.00 MAPT (0.52) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL13623213 0.87 MAPT (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1026865 0.81 ALDH1A1 (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1026864 0.81 ALDH1A1 (0.46) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL13623216 0.77 ALDH1A1 (0.52) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL7700573 0.76 ALDH1A1 (0.53) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL4367032 0.75 SIRT2 (0.40) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL4367036 0.75 SIRT2 (0.40) MAPTKMT2AALDH1A1LMNAPOLB
SCHEMBL1025541 0.73 MAPT (0.42) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1025542 0.73 MAPT (0.42) MAPTKMT2AMEN1MAPK1ALDH1A1

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 3239/4885KMT2A 382/4885MEN1 1321/4885

“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.