SCHEMBL3235448

SCHEMBL3235448

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
IDH2 P48735 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
VCP P55072 1/20 0.37
PLK1 P53350 4/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA1 P30542 3/20 0.35
THRB P10828 1/20 0.34
PTGS2 P35354 1/20 0.34
AGPAT2 O15120 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL3420436 0.88 IDH2 (0.38) SYKIDH2VCPPLK1MAPT
SCHEMBL3229954 0.85 IDH2 (0.43) SYKIDH2NPSR1VCPPLK1
SCHEMBL3265322 0.84 PTGS2 (0.38) SYKIDH2VCPPLK1MAPT
SCHEMBL3234022 0.84 SYK (0.42) SYKIDH2VCPPLK1MAPT
SCHEMBL3263101 0.83 SYK (0.41) SYKIDH2NPSR1VCPPLK1
Dimethylamine SCHEMBL3266676 0.82 SYK (0.40) SYKIDH2VCPPLK1MAPT
SCHEMBL3419382 0.82 SYK (0.43) SYKIDH2VCPPLK1MAPT
SCHEMBL3420975 0.82 SLC6A4 (0.36) ADORA1SLC6A2SLC6A4SLC6A3
SCHEMBL3264006 0.82 SYK (0.42) SYKIDH2VCPPLK1MAPT
SCHEMBL3265292 0.82 SYK (0.43) SYKIDH2VCPPLK1MAPT

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
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

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 571/4885IDH2 2386/4885NPSR1 354/4885

“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.