SCHEMBL3229963

SCHEMBL3229963

COC(=O)C1(c2ccc(Nc3nc(NC4CC5CCC4C5)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
GPR183 P32249 1/20 0.38
VCP P55072 2/20 0.37
HSD11B1 P28845 1/20 0.36
AKT1 P31749 1/20 0.36
GBA1 P04062 1/20 0.35
SYK P43405 1/20 0.35
MAPT P10636 1/20 0.35
PDGFRB P09619 3/20 0.34
PDGFRA P16234 3/20 0.34
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
P2RX7 Q99572 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
SCHEMBL3228883 0.92 ADORA1 (0.40) ADORA1ADORA3ADORA2AGPR183VCP
SCHEMBL3228751 0.86 VCP (0.47) ADORA1ADORA3ADORA2AVCPAKT1
SCHEMBL3228889 0.84 ADORA1 (0.39) ADORA1ADORA3ADORA2AGPR183VCP
SCHEMBL3227596 0.83 AKT1 (0.42) ADORA1ADORA3ADORA2AVCPAKT1
SCHEMBL3236168 0.82 AKT1 (0.40) ADORA1ADORA3ADORA2AVCPAKT1
SCHEMBL3229585 0.80 SYK (0.40) ADORA1ADORA3VCPAKT1SYK
SCHEMBL3228961 0.80 MAPT (0.47) VCPAKT1SYKMAPT
SCHEMBL13456904 0.79 VCP (0.48) VCP
SCHEMBL13456945 0.79 AKT1 (0.39) ADORA1ADORA3ADORA2AVCPAKT1
SCHEMBL3268108 0.79 MAPT (0.43) ADORA1ADORA3VCPAKT1SYK

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 4 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
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 ADORA1 2916/4885ADORA3 3583/4885ADORA2A 3848/4885

“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.