SCHEMBL13623213

SCHEMBL13623213

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL13623216 0.90 ALDH1A1 (0.52) MAPTKMT2APOLBALDH1A1LMNA
SCHEMBL1025211 0.87 MAPT (0.52) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL1025212 0.87 MAPT (0.52) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL13623226 0.85 SIRT2 (0.40) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL4367032 0.84 SIRT2 (0.40) MAPTKMT2APOLBALDH1A1LMNA
SCHEMBL4367036 0.84 SIRT2 (0.40) MAPTKMT2APOLBALDH1A1LMNA
SCHEMBL1026372 0.84 LMNA (0.40) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL13622511 0.82 MMP1 (0.45) MAPTKMT2AMEN1NPC1POLB
SCHEMBL13670029 0.82 MAPT (0.51) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL13622531 0.82 MEN1 (0.47) MAPTKMT2AMEN1MAPK1NPC1

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 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.