SCHEMBL30768383

SCHEMBL30768383

[2H]c1c[nH]c2ncc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.37
AXL P30530 3/20 0.36
CDK8 P49336 2/20 0.36
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
RIPK1 Q13546 3/20 0.34
APP P05067 1/20 0.33
SNCA P37840 1/20 0.33
NUDT1 P36639 2/20 0.32
ITK Q08881 2/20 0.31
BTK Q06187 1/20 0.31
AHR P35869 1/20 0.31
MTOR P42345 1/20 0.30
FGFR1 P11362 2/20 0.30
KDR P35968 2/20 0.30
BRD4 O60885 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30

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
SCHEMBL297772 0.80 CDK8 (0.55) MAPK1AXLCDK8PIK3CDPIK3CA
SCHEMBL30542328 0.68
Propionic Acid SCHEMBL1101220 0.67 BTK (0.48) AXLCDK8RIPK1ITKBTK
SCHEMBL14977221 0.67 NAMPT (0.40) MAPK1PIK3CASNCAFGFR1KDR
SCHEMBL13854148 0.66 CDK8 (0.65) MAPK1AXLCDK8PIK3CDPIK3CA
SCHEMBL29358649 0.64
SCHEMBL878862 0.63 ULK1 (0.51) MAPK1AXLCDK8PIK3CDPIK3CA
SCHEMBL669933 0.63 AXL (0.42) MAPK1AXLNUDT1JAK2CSNK1D
SCHEMBL2038785 0.63 BRD4 (0.47) PIK3CGSNCAKDRBRD4JAK2
SCHEMBL29431210 0.63 SNCA (0.42) SNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382926-A1 COMPOUNDS AND USES THEREOF THE UNIVERSITY OF THE WEST INDIES (TT) 2023-11-30 US 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-20230382926-A1 COMPOUNDS AND USES THEREOF CFTR, CCL11, CEL MAPK1 1114/4885AXL 3455/4885CDK8 4600/4885

“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.