SCHEMBL3228769

SCHEMBL3228769

O=C(O)C1(c2ccc(Nc3nc(N[C@H](CO)c4ccccc4)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.39
JAK3 P52333 1/20 0.39
TACR3 P29371 2/20 0.39
SYK P43405 1/20 0.39
VCP P55072 1/20 0.38
ROCK2 O75116 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
MAP4K3 Q8IVH8 4/20 0.36
MAP4K1 Q92918 4/20 0.36
MAPKAPK2 P49137 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
AKR1C1 Q04828 1/20 0.35
PTGDR Q13258 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34
AURKA O14965 2/20 0.34
CDK2 P24941 2/20 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
SCHEMBL3230127 1.00 IRAK4 (0.39) IRAK4JAK3TACR3SYKVCP
SCHEMBL3420513 0.91 MAPT (0.38) IRAK4JAK3TACR3SYKVCP
SCHEMBL13309648 0.87 CAMK2D (0.45) TACR3SYKVCP
SCHEMBL3227477 0.87 CAMK2D (0.45) TACR3SYKVCP
SCHEMBL13309649 0.87 CAMK2D (0.45) TACR3SYKVCP
SCHEMBL3224000 0.83 SYK (0.44) JAK3SYKVCPAKR1C1PTGDR
SCHEMBL3227518 0.81 MAPT (0.48) SYKVCPAKR1C1MAPT
SCHEMBL13341404 0.81 VCP (0.38) SYKVCPAKR1C1PTGDRMAPT
SCHEMBL3261619 0.80 VCP (0.42) SYKVCPAKR1C1PTGDRMAPT
SCHEMBL3234022 0.80 SYK (0.42) JAK3SYKVCPAKR1C1PTGDR

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 6 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
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 IRAK4 4012/4885JAK3 532/4885TACR3 1480/4885

“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.