SCHEMBL30456972

SCHEMBL30456972

Clc1cc2cc[nH]c2nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 4/20 0.39
CDK8 P49336 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
AHR P35869 3/20 0.38
NUDT1 P36639 2/20 0.38
CMA1 P23946 1/20 0.38
F7 P08709 1/20 0.38
LTA4H P09960 1/20 0.38
F3 P13726 1/20 0.38
NR4A2 P43354 1/20 0.38
RIPK1 Q13546 3/20 0.37
DYRK1A Q13627 2/20 0.35
PRKCI P41743 1/20 0.35
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
CSNK2A1 P68400 2/20 0.34
FGFR1 P11362 2/20 0.33

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
SCHEMBL1564616 1.00 AXL (0.39) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL20674174 0.74 RIPK1 (0.44) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL14438043 0.74 ADORA2A (0.40) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL17388984 0.74 CDK8 (0.39) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL31577515 0.72 CHEK1 (0.41) AHRCMA1F7LTA4HF3
SCHEMBL15205193 0.70 AXL (0.39) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL15930207 0.69 CDK8 (0.36) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL21958557 0.69 KDR (0.36) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL30062504 0.69 KDR (0.36) AXLCDK8PIK3CDPIK3CAPIK3CB
SCHEMBL18238981 0.69 CDK8 (0.37) AXLCDK8PIK3CDPIK3CAPIK3CB

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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 AXL 1522/4885CDK8 2335/4885PIK3CD 2141/4885

“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.