SCHEMBL3263101

SCHEMBL3263101

CC(=O)C1(c2ccc(Nc3nc(NC(C)(C)C)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
ADORA1 P30542 6/20 0.39
IDH2 P48735 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
VCP P55072 1/20 0.39
PLK1 P53350 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ADORA2A P29274 2/20 0.37
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3234022 0.93 SYK (0.42) SYKADORA1IDH2ADORA3VCP
SCHEMBL3419382 0.91 SYK (0.43) SYKADORA1IDH2ADORA3VCP
Dimethylamine SCHEMBL3266676 0.91 SYK (0.40) SYKADORA1IDH2ADORA3VCP
SCHEMBL3264006 0.91 SYK (0.42) SYKADORA1IDH2ADORA3VCP
SCHEMBL3228688 0.90 SYK (0.40) SYKADORA1IDH2ADORA3VCP
SCHEMBL3415621 0.90 SYK (0.40) SYKADORA1IDH2ADORA3VCP
SCHEMBL3236168 0.90 AKT1 (0.40) SYKADORA1IDH2ADORA3VCP
SCHEMBL3232185 0.90 SYK (0.39) SYKADORA1IDH2ADORA3VCP
SCHEMBL13456931 0.90 SYK (0.39) SYKADORA1IDH2ADORA3VCP
SCHEMBL3265292 0.89 SYK (0.43) SYKADORA1IDH2ADORA3VCP

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
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 SYK 571/4885ADORA1 2916/4885IDH2 2386/4885

“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.