SCHEMBL3224093

SCHEMBL3224093

Cc1noc(C)c1-c1cc(N2CCOCC2)nc(Nc2ccc(C3(CS(C)(=O)=O)CCC3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.39
PIK3R5 Q8WYR1 1/20 0.39
CLK4 Q9HAZ1 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AURKA O14965 5/20 0.38
AURKB Q96GD4 2/20 0.38
RIPK1 Q13546 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CA P42336 1/20 0.37
RAF1 P04049 3/20 0.37

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
SCHEMBL3228592 0.89 CYP1A2 (0.43) CLK4CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3258829 0.83 AURKA (0.40) PIK3CGPIK3R5CLK4CYP1A2CYP2C19
SCHEMBL3235876 0.83 RAF1 (0.41) CLK4CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3233971 0.82 AURKA (0.43) PIK3CGPIK3R5CLK4CYP1A2CYP2C19
SCHEMBL13309665 0.76 MAPT (0.41) CLK4CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3227633 0.76 KMT2A (0.41) CLK4CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3230107 0.75 SMG1 (0.41) CLK4CYP1A2CYP2C19ALDH1A1MEN1
SCHEMBL3229820 0.74 SLC2A1 (0.36) CYP1A2CYP2C19ALDH1A1TSHRAURKA
SCHEMBL3265040 0.74 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRHSD17B10AURKA
SCHEMBL3227296 0.74 CDK4 (0.39) CLK4CYP1A2ALDH1A1TSHRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US claimed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO claimed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 PIK3CG 2697/4885PIK3R5 919/4885CLK4 2063/4885

“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.