SCHEMBL3228592

SCHEMBL3228592

Cc1noc(C)c1-c1cc(N2CCOCC2)nc(Nc2ccc(C3(CO)CCC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 5/20 0.38
AURKB Q96GD4 2/20 0.38
RIPK1 Q13546 1/20 0.38
LRRK2 Q5S007 1/20 0.38
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 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
SCHEMBL3224093 0.89 PIK3CG (0.39) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3235876 0.86 RAF1 (0.41) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3233971 0.85 AURKA (0.43) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL13309665 0.81 MAPT (0.41) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3258829 0.79 AURKA (0.40) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3227633 0.79 KMT2A (0.41) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3230107 0.78 SMG1 (0.41) CYP1A2CYP2C19CLK4MEN1USP2
SCHEMBL3265040 0.77 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRHSD17B10MAPK1
SCHEMBL3229820 0.77 SLC2A1 (0.36) CYP1A2CYP2C19ALDH1A1TSHRMAPK1
SCHEMBL3227296 0.76 CDK4 (0.39) CYP1A2CLK4ALDH1A1TSHRMAPK1

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 CYP1A2 558/4885CYP2C19 289/4885CLK4 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.