SCHEMBL1815383

SCHEMBL1815383

N#Cc1cc(N)ncc1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
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
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
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
GRM4 Q14833 1/20 0.32
ABL1 P00519 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL24179475 0.78 XDH (0.34) XDHCSNK1A1CLK4GRM4ALDH1A1
SCHEMBL11486802 0.78 PIK3CD (0.42) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL21927176 0.77 GABRP (0.37) XDHCSNK1A1CLK4DYRK1AGRM4
SCHEMBL20157559 0.75 CSNK1A1 (0.37) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL18031200 0.75 NOS3 (0.56) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL30868505 0.75 HTT (0.46) CSNK1A1CLK4PIK3CAPIK3CDNOS3
SCHEMBL23908930 0.75 XDH (0.39) XDHCSNK1A1CLK4PIK3CAPIK3CD
SCHEMBL338485 0.75 HTT (0.46) 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
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
CN-114315900-B 3-aryl pyrazolopyrimidine derivative and application thereof 美迪西普胜医药科技(上海)有限公司 2023-09-05 CN disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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 (2 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD XDH 1528/4885CSNK1A1 4643/4885CLK4 3456/4885
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP XDH 87/4885CSNK1A1 1743/4885CLK4 4482/4885

“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.