SCHEMBL3232185

SCHEMBL3232185

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.39
ADORA1 P30542 6/20 0.37
IDH2 P48735 1/20 0.37
VCP P55072 1/20 0.37
PLK1 P53350 2/20 0.37
SLC2A1 P11166 1/20 0.35
MAPT P10636 2/20 0.35
ADORA3 P0DMS8 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 1/20 0.34
EP300 Q09472 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
SCHEMBL3261781 0.91 SYK (0.37) SYKADORA1IDH2VCPPLK1
SCHEMBL3234022 0.91 SYK (0.42) SYKADORA1IDH2VCPPLK1
SCHEMBL3263101 0.90 SYK (0.41) SYKADORA1IDH2VCPPLK1
Dimethylamine SCHEMBL3266676 0.89 SYK (0.40) SYKADORA1IDH2VCPPLK1
SCHEMBL3419382 0.89 SYK (0.43) SYKADORA1IDH2VCPPLK1
SCHEMBL3264006 0.89 SYK (0.42) SYKADORA1IDH2VCPPLK1
SCHEMBL3236168 0.88 AKT1 (0.40) SYKADORA1IDH2VCPPLK1
SCHEMBL3415621 0.88 SYK (0.40) SYKADORA1IDH2VCPPLK1
SCHEMBL3228688 0.88 SYK (0.40) SYKADORA1IDH2VCPPLK1
SCHEMBL13456931 0.87 SYK (0.39) SYKADORA1IDH2VCPPLK1

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 5 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
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.