SCHEMBL4343501

SCHEMBL4343501

Nc1cccc(C#Cc2cccc(NC(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.58
DDX3X O00571 2/20 0.54
ALDH1A1 P00352 3/20 0.51
FFAR1 O14842 1/20 0.51
IKBKB O14920 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KDR P35968 1/20 0.45
GRM5 P41594 1/20 0.45
MAPT P10636 2/20 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
SCHEMBL1028239 0.86 MAPT (0.45) PTPN11DDX3XALDH1A1FFAR1IKBKB
SCHEMBL1025424 0.84 DDX3X (0.74) DDX3XALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL1024930 0.83 FFAR1 (0.43) PTPN11DDX3XALDH1A1FFAR1IKBKB
SCHEMBL22658427 0.83 PTPN11 (0.57) PTPN11DDX3XALDH1A1IKBKBSMN1; SMN2
SCHEMBL3580009 0.82 LCK (0.59) PTPN11KDRGRM5
SCHEMBL4719248 0.80 PTPN11 (0.50) PTPN11DDX3XALDH1A1IKBKBSMN1; SMN2
SCHEMBL1026072 0.79 FFAR1 (0.47) PTPN11DDX3XALDH1A1FFAR1IKBKB
SCHEMBL13622710 0.79 ALDH1A1 (0.47) PTPN11DDX3XALDH1A1FFAR1IKBKB
SCHEMBL5251355 0.78 KDR (0.54) PTPN11DDX3XALDH1A1HDAC3HDAC4
SCHEMBL1025282 0.77 FFAR1 (0.45) ALDH1A1FFAR1IKBKBSMN1; SMN2HDAC6

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-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 PTPN11 145/4885DDX3X 3846/4885ALDH1A1 2511/4885

“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.