SCHEMBL6832684

SCHEMBL6832684

COc1c(-c2ccc3cc(N)ccc3c2)cc(-c2ncn[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.37
PDGFRB P09619 3/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
GSTP1 P09211 1/20 0.31
PTGS2 P35354 1/20 0.31
TRPA1 O75762 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FYN P06241 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SRC P12931 2/20 0.30
ABL1 P00519 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
SCHEMBL2745740 0.83 CRBN (0.57) CRBNFYNABL1KIT
SCHEMBL10135112 0.77 CYP3A4 (0.45) ADORA2AADORA1PTGS2
SCHEMBL6766207 0.75 ERBB2 (0.38) ADORA2AADORA1PTGS2HPGD
SCHEMBL13908094 0.69 CRBN (0.71) CRBNADORA2AADORA1RARARARB
SCHEMBL1530177 0.68 CRBN (0.41) CRBNADORA2AADORA1RARARARB
SCHEMBL1530120 0.68 GSTP1 (0.49) CRBNGSTP1PTGS2NPC1RAB9A
SCHEMBL1764618 0.65 CYP3A4 (0.65) CRBNKIT
SCHEMBL6766113 0.64 PTGS2 (0.37) ADORA2AADORA1PTGS2NPC1RAB9A
SCHEMBL6832515 0.62 CYP3A4 (0.43) PTGS2
SCHEMBL6832451 0.61 CYP3A4 (0.52) PTGS2

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-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 CRBN 1341/4885PDGFRB 1297/4885ADORA2A 1072/4885

“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.