SCHEMBL3233971

SCHEMBL3233971

COC(=O)C1(c2ccc(Nc3nc(-c4c(C)noc4C)cc(N4CCOCC4)n3)cc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.43
RIPK1 Q13546 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAF1 P04049 4/20 0.38
BRAF P15056 4/20 0.38
PTGS2 P35354 2/20 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 0.93 RAF1 (0.41) AURKARIPK1AURKBMEN1KMT2A
SCHEMBL3232904 0.91 SLC2A1 (0.36) AURKARIPK1AURKBCYP1A2ALDH1A1
SCHEMBL3236223 0.90 CDK4 (0.38) AURKAAURKBCYP1A2ALDH1A1TSHR
SCHEMBL3228592 0.85 CYP1A2 (0.43) AURKARIPK1AURKBMEN1KMT2A
SCHEMBL3227633 0.84 KMT2A (0.41) MEN1KMT2ACYP1A2CYP2C19USP2
SCHEMBL3229820 0.84 SLC2A1 (0.36) AURKARIPK1AURKBCYP1A2CYP2C19
SCHEMBL3265040 0.84 CYP1A2 (0.46) AURKARIPK1AURKBCYP1A2ALDH1A1
SCHEMBL3227296 0.83 CDK4 (0.39) AURKAAURKBCYP1A2ALDH1A1TSHR
SCHEMBL3261463 0.82 MAPT (0.44) AURKALMNAMAPTHDAC6PIK3CG
SCHEMBL3224093 0.82 PIK3CG (0.39) AURKARIPK1AURKBMEN1KMT2A

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 4 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 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 AURKA 975/4885RIPK1 4865/4885AURKB 1021/4885

“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.