SCHEMBL3265322

SCHEMBL3265322

CC(C)(C)Nc1cc(-c2ccccc2)nc(Nc2ccc(C3(COS(C)(=O)=O)CCC3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
IDH2 P48735 1/20 0.35
SYK P43405 1/20 0.35
PLK1 P53350 4/20 0.35
VCP P55072 2/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
BPTF Q12830 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADORA1 P30542 2/20 0.32
IKBKB O14920 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL3420436 0.88 IDH2 (0.38) PTGS2IDH2SYKPLK1VCP
SCHEMBL3235448 0.84 SYK (0.42) PTGS2IDH2SYKPLK1VCP
SCHEMBL3229954 0.80 IDH2 (0.43) PTGS2IDH2SYKPLK1VCP
SCHEMBL3422029 0.79 IDH2 (0.38) PTGS2IDH2SYKPLK1VCP
SCHEMBL3234022 0.79 SYK (0.42) PTGS2IDH2SYKPLK1VCP
SCHEMBL3236168 0.78 AKT1 (0.40) PTGS2IDH2SYKPLK1VCP
SCHEMBL3263101 0.78 SYK (0.41) PTGS2IDH2SYKPLK1VCP
SCHEMBL3419382 0.77 SYK (0.43) PTGS2IDH2SYKPLK1VCP
SCHEMBL3266663 0.77 IDH2 (0.38) PTGS2IDH2SYKPLK1VCP
Dimethylamine SCHEMBL3266676 0.77 SYK (0.40) PTGS2IDH2SYKPLK1VCP

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 2 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
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 PTGS2 2185/4885IDH2 2386/4885SYK 571/4885

“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.