SCHEMBL3228889

SCHEMBL3228889

O=COC1(c2ccc(Nc3nc(NC4CC5CCC4C5)cc(-c4ccccc4)n3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 3/20 0.39
GPR183 P32249 1/20 0.39
VCP P55072 2/20 0.34
GBA1 P04062 1/20 0.34
SYK P43405 1/20 0.34
RET P07949 1/20 0.32
PDGFRB P09619 3/20 0.32
PDGFRA P16234 3/20 0.32
GABBR2 O75899 3/20 0.31
GABBR1 Q9UBS5 3/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
P2RX7 Q99572 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30

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
SCHEMBL3229294 0.85 VCP (0.46) ADORA1ADORA3ADORA2AVCPSYK
SCHEMBL3233990 0.85 VCP (0.44) ADORA1ADORA3ADORA2AVCPSYK
SCHEMBL3228883 0.85 ADORA1 (0.40) ADORA1ADORA3ADORA2AGPR183VCP
SCHEMBL3229963 0.84 ADORA1 (0.38) ADORA1ADORA3ADORA2AGPR183VCP
SCHEMBL3235616 0.81 SYK (0.40) ADORA1ADORA3VCPSYK
SCHEMBL3422029 0.81 IDH2 (0.38) ADORA1VCPSYK
SCHEMBL3266663 0.79 IDH2 (0.38) ADORA1VCPSYK
SCHEMBL3261709 0.78 ADORA3 (0.46) ADORA1ADORA3ADORA2AGPR183VCP
SCHEMBL3233801 0.77 MAPT (0.40) ADORA1VCPGBA1SYK
SCHEMBL3419816 0.77 IDH2 (0.40) ADORA1VCPSYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.