SCHEMBL23908930

SCHEMBL23908930

N#Cc1cc(N)ncc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.39
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
USP7 Q93009 2/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CD O00329 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
HTT P42858 1/20 0.33
PDPK1 O15530 1/20 0.33
KDR P35968 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32

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
SCHEMBL16668748 0.80 CSNK1A1 (0.45) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL11486802 0.78 PIK3CD (0.42) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL15074083 0.75 XDH (0.39) XDHCSNK1A1CLK4
SCHEMBL27037818 0.75 XDH (0.39) XDHUSP7HTTKDRABL1
SCHEMBL20157559 0.75 CSNK1A1 (0.37) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL1815383 0.75 XDH (0.40) XDHCSNK1A1CLK4PIK3CAPIK3CD
SCHEMBL338485 0.75 HTT (0.46) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL30868505 0.75 HTT (0.46) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL18031200 0.75 NOS3 (0.56) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL1457800 0.74 CSNK1A1 (0.44) CSNK1A1CLK4PIK3CAPIK3CDNOS3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 XDH 3672/4885CSNK1A1 1985/4885CLK4 2662/4885

“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.