SCHEMBL3229954

SCHEMBL3229954

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.43
SYK P43405 1/20 0.42
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
PLK1 P53350 3/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
THRB P10828 1/20 0.36
PTGS2 P35354 1/20 0.36
AGPAT2 O15120 1/20 0.36
VCP P55072 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA1 P30542 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL3235448 0.85 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3234022 0.85 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3263101 0.85 SYK (0.41) IDH2SYKTP53MAPTLMNA
SCHEMBL3420436 0.84 IDH2 (0.38) IDH2SYKTP53MAPTLMNA
SCHEMBL3419382 0.84 SYK (0.43) IDH2SYKTP53MAPTLMNA
Dimethylamine SCHEMBL3266676 0.84 SYK (0.40) IDH2SYKTP53MAPTLMNA
SCHEMBL3422029 0.84 IDH2 (0.38) IDH2SYKTP53MAPTLMNA
SCHEMBL3264006 0.83 SYK (0.42) IDH2SYKTP53MAPTLMNA
SCHEMBL3415621 0.83 SYK (0.40) IDH2SYKTP53MAPTLMNA
SCHEMBL3236168 0.83 AKT1 (0.40) IDH2SYKTP53MAPTLMNA

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
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
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 IDH2 2386/4885SYK 571/4885TP53 943/4885

“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.