SCHEMBL1028239

SCHEMBL1028239

Nc1cccc(C#Cc2cncc(NC(=O)O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
FFAR1 O14842 1/20 0.45
CLK2 P49760 1/20 0.44
PTPN11 Q06124 1/20 0.43
IKBKB O14920 2/20 0.43
KDR P35968 6/20 0.43
PDGFRB P09619 4/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DDX3X O00571 1/20 0.40
PTGES O14684 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GRM5 P41594 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 0.86 PTPN11 (0.58) MAPTFFAR1PTPN11IKBKBKDR
SCHEMBL3837869 0.84 GRM5 (0.47) MAPTFFAR1PTPN11KDRPDGFRB
SCHEMBL13623057 0.82 NAMPT (0.43) MAPTFFAR1CLK2IKBKBKDR
SCHEMBL3836707 0.81 PTPN1 (0.57) MAPTFFAR1KDRPTGESGRM5
SCHEMBL14906245 0.79 KDM4E (0.51) MAPTFFAR1IKBKBKDRPDGFRB
SCHEMBL4638868 0.79 RET (0.41) MAPTKDRPDGFRB
SCHEMBL13669928 0.77 CLK2 (0.38) MAPTFFAR1CLK2IKBKBKDR
SCHEMBL1024930 0.76 FFAR1 (0.43) FFAR1PTPN11IKBKBKDRPDGFRB
SCHEMBL18339403 0.76 IKBKB (0.46) MAPTFFAR1IKBKBKDRPDGFRB
SCHEMBL1026072 0.75 FFAR1 (0.47) FFAR1PTPN11IKBKBCSNK2A2CSNK2B

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 3239/4885FFAR1 1611/4885CLK2 1097/4885

“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.