SCHEMBL5873897

SCHEMBL5873897

O=C1Nc2ccc(-c3ccco3)nc2C1=CNc1ccccc1CCO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.33
ADORA2A P29274 4/20 0.33
ADORA2B P29275 4/20 0.33
ADORA1 P30542 4/20 0.33
RET P07949 1/20 0.33
JAK3 P52333 1/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PAK4 O96013 1/20 0.30
CDK2 P24941 3/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 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
SCHEMBL5873898 0.79 MAPT (0.40) RETGSK3BRPS6KA3CDK2KDM4E
SCHEMBL5873903 0.79 MAPT (0.40) RETGSK3BRPS6KA3CDK2KDM4E
SCHEMBL5427740 0.78 RET (0.44) RETJAK3GSK3AGSK3BRPS6KA3
SCHEMBL5427736 0.78 RET (0.44) RETJAK3GSK3AGSK3BRPS6KA3
SCHEMBL6884680 0.74 RET (0.36) RETJAK3GSK3AGSK3BPAK4
SCHEMBL6884674 0.74 RET (0.36) RETJAK3GSK3AGSK3BPAK4
SCHEMBL5439424 0.67 PDGFRB (0.47) RETJAK3GSK3AGSK3BRPS6KA3
SCHEMBL5873826 0.67 TRPV1 (0.31) MEN1MAPTKMT2A
SCHEMBL5439427 0.67 PDGFRB (0.47) RETJAK3GSK3AGSK3BRPS6KA3
SCHEMBL5873823 0.67 TRPV1 (0.31) MEN1MAPTKMT2A

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-7129253-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2006-10-31 US disclosed
US-20040191210-A1 Compounds GLENNON KIMBERLEY CAROLINE (US) 2004-09-30 US 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-20040191210-A1 Compounds CDK1, AKT1, RPS6KA1 ADORA3 1220/4885ADORA2A 1729/4885ADORA2B 2089/4885

“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.