SCHEMBL1073191

SCHEMBL1073191

Nc1cccc(CCc2cncc(NC(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
CYP19A1 P11511 1/20 0.44
GLS O94925 2/20 0.42
DDX3X O00571 1/20 0.40
TLR8 Q9NR97 2/20 0.39
NAMPT P43490 1/20 0.39
ROCK2 O75116 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL4334746 0.86 MAOA (0.58) MAOAMAOBCYP19A1GLSDDX3X
SCHEMBL13623058 0.82 NAMPT (0.43) MAOAMAOBCYP19A1GLSNAMPT
SCHEMBL1024973 0.78 CTSC (0.40)
SCHEMBL1026634 0.77 SYK (0.47) ALDH1A1
SCHEMBL1026271 0.76 MAOA (0.46) MAOAMAOBCYP19A1GLSDDX3X
SCHEMBL18340680 0.76 MAOA (0.49) MAOAMAOBCYP19A1
SCHEMBL1027528 0.75 MAPT (0.47) MAOAMAOBCYP19A1GLSDDX3X
SCHEMBL1026728 0.74 NR3C2 (0.64) MAOAMAOBNR3C2
SCHEMBL1074012 0.74 MAPT (0.68) DDX3XHDAC3HDAC4HDAC1HDAC7
SCHEMBL1024694 0.74 MAOA (0.43) MAOAMAOBCYP19A1GLSNAMPT

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 MAOA 4368/4885MAOB 3848/4885CYP19A1 2565/4885

“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.