SCHEMBL1026072

SCHEMBL1026072

Nc1cccc(C#Cc2ccnc(NC(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.47
ASIC3 Q9UHC3 2/20 0.46
IKBKB O14920 1/20 0.45
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
PTPN11 Q06124 1/20 0.39
NR3C2 P08235 3/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
DDX3X O00571 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PDK1 Q15118 1/20 0.38
LCK P06239 1/20 0.37
TEK Q02763 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HAO1 Q9UJM8 1/20 0.37
PTPRC P08575 1/20 0.37

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
SCHEMBL1024930 0.81 FFAR1 (0.43) FFAR1ASIC3IKBKBCSNK2A2CSNK2B
SCHEMBL13623044 0.81 IRAK4 (0.42) FFAR1ASIC3IKBKBNR3C2
SCHEMBL1025282 0.81 FFAR1 (0.45) FFAR1IKBKBCSNK2A2CSNK2BCSNK2A1
SCHEMBL17010231 0.80 NR3C2 (0.44) ASIC3NR3C2NPC1RAB9A
SCHEMBL25205055 0.80 HDAC3 (0.39) FFAR1NR3C2SLC7A11NPC1RAB9A
SCHEMBL6507679 0.79 EGFR (0.54) PIK3CA
SCHEMBL4343501 0.79 PTPN11 (0.58) FFAR1IKBKBPTPN11DDX3XALDH1A1
SCHEMBL1026728 0.76 NR3C2 (0.64) NR3C2
SCHEMBL1028239 0.75 MAPT (0.45) FFAR1IKBKBCSNK2A2CSNK2BCSNK2A1
SCHEMBL12803711 0.75 IKBKB (0.46) FFAR1ASIC3IKBKBCSNK2A2CSNK2B

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 FFAR1 1611/4885ASIC3 1071/4885IKBKB 24/4885

“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.