SCHEMBL3227633

SCHEMBL3227633

Cc1noc(C)c1-c1cc(N2CCOCC2)nc(Nc2cccc(C3(C(=O)O)CCC3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAF1 P04049 10/20 0.40
BRAF P15056 9/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
SMG1 Q96Q15 1/20 0.39
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3235876 0.91 RAF1 (0.41) KMT2AMEN1RAF1BRAFTP53
SCHEMBL13309665 0.86 MAPT (0.41) KMT2AMEN1RAF1BRAFTP53
SCHEMBL3230107 0.85 SMG1 (0.41) KMT2AMEN1RAF1BRAFTP53
SCHEMBL3233971 0.84 AURKA (0.43) KMT2AMEN1RAF1BRAFTP53
SCHEMBL3229820 0.82 SLC2A1 (0.36) RAF1BRAFALDH1A1CYP1A2TSHR
SCHEMBL3265040 0.82 CYP1A2 (0.46) ALDH1A1CYP1A2TSHRHSD17B10HIF1A
SCHEMBL3227296 0.82 CDK4 (0.39) CDK1CDK2ALDH1A1CYP1A2TSHR
SCHEMBL3228592 0.79 CYP1A2 (0.43) KMT2AMEN1RAF1BRAFTP53
SCHEMBL3229117 0.76 LMNA (0.45) KMT2AMEN1RAF1BRAFPOLB
SCHEMBL3224093 0.76 PIK3CG (0.39) KMT2AMEN1RAF1BRAFTP53

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 KMT2A 739/4885MEN1 1320/4885RAF1 4118/4885

“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.