SCHEMBL1075424

SCHEMBL1075424

Nc1cccc(C(=O)Nc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.64
KCNK9 Q9NPC2 5/20 0.64
KCNH2 Q12809 1/20 0.61
PTGS1 P23219 3/20 0.61
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
ULK1 O75385 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DDX3X O00571 1/20 0.54
THRB P10828 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL2126328 0.93 PTGS1 (0.68) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL308208 0.90 PTGS1 (0.72) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL31171978 0.90 PTGS1 (0.72) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL1352405 0.88 PTGS1 (0.68) KCNK3KCNK9PTGS1MEN1KMT2A
SCHEMBL20457020 0.88 KCNK3 (0.82) KCNK3KCNK9KCNH2MEN1KMT2A
SCHEMBL17744817 0.87 PTGS1 (0.64) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL13381189 0.87 MEN1 (0.67) KCNK3KCNK9PTGS1MEN1KMT2A
SCHEMBL8403932 0.86 PTGS1 (0.72) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL29568967 0.86 PTGS1 (0.72) KCNK3KCNK9KCNH2PTGS1MEN1
SCHEMBL11882113 0.86 PTGS1 (0.59) KCNK3KCNK9KCNH2PTGS1MEN1

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 KCNK3 616/4885KCNK9 782/4885KCNH2 644/4885

“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.