SCHEMBL3228757

SCHEMBL3228757

COC(=O)C1(c2ccc(Nc3cc(-c4c(C)noc4C)nc(C)n3)cc2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.42
CYP2C19 P33261 5/20 0.42
CYP3A4 P08684 3/20 0.42
CLK4 Q9HAZ1 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC2A1 P11166 1/20 0.36
HDAC1 Q13547 2/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 1/20 0.35
FTO Q9C0B1 1/20 0.35
HIF1A Q16665 1/20 0.34

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
SCHEMBL3233920 0.92 CYP2C19 (0.42) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3229370 0.91 CYP1A2 (0.44) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3423332 0.88 CYP1A2 (0.48) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3415491 0.85 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3234476 0.84 CYP1A2 (0.40) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3232300 0.83 CYP1A2 (0.42) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3233971 0.80 AURKA (0.43) CYP1A2CYP2C19CYP3A4CLK4MEN1
SCHEMBL3232904 0.79 SLC2A1 (0.36) CYP1A2ALDH1A1MAPK1LMNATSHR
SCHEMBL3229117 0.79 LMNA (0.45) CYP1A2CYP2C19CLK4MEN1ALDH1A1
SCHEMBL3236223 0.79 CDK4 (0.38) CYP1A2CLK4ALDH1A1MAPK1TSHR

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
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

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 289/4885CYP3A4 452/4885

“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.