SCHEMBL1024930

SCHEMBL1024930

Nc1cccc(C#Cc2cc(NC(=O)O)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ASIC3 Q9UHC3 1/20 0.42
IKBKB O14920 2/20 0.42
PTPN11 Q06124 1/20 0.42
GRM5 P41594 2/20 0.41
DDX3X O00571 1/20 0.41
PDGFRB P09619 3/20 0.40
KDR P35968 3/20 0.40
ALDH1A1 P00352 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
JAK2 O60674 1/20 0.38
TYK2 P29597 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL4343501 0.83 PTPN11 (0.58) FFAR1IKBKBPTPN11GRM5DDX3X
SCHEMBL13623024 0.83 CYP17A1 (0.40) FFAR1IKBKBGRM5ALDH1A1
SCHEMBL1026072 0.81 FFAR1 (0.47) FFAR1ASIC3IKBKBPTPN11DDX3X
SCHEMBL1025282 0.76 FFAR1 (0.45) FFAR1IKBKBGRM5ALDH1A1CSNK2A2
SCHEMBL1028239 0.76 MAPT (0.45) FFAR1IKBKBPTPN11GRM5DDX3X
SCHEMBL4332129 0.76 GRM5 (0.40) PTPN11GRM5PDGFRBKDRJAK2
SCHEMBL1025748 0.75 FFAR1 (0.39) FFAR1ASIC3IKBKBGRM5CSNK2A2
SCHEMBL3580009 0.73 LCK (0.59) PTPN11GRM5PDGFRBKDRGRM4
SCHEMBL1025424 0.72 DDX3X (0.74) DDX3XALDH1A1
SCHEMBL22125247 0.72 SMARCA2 (0.51) PDGFRBKDR

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.