SCHEMBL4769150

SCHEMBL4769150

COc1ccc(Nc2nc(NC3CC4CCC3C4)c3nc[nH]c3n2)c(OC)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.46
ADORA1 P30542 4/20 0.46
ADORA2A P29274 2/20 0.46
GPR183 P32249 1/20 0.46
GABBR2 O75899 4/20 0.37
GABBR1 Q9UBS5 4/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PDGFRB P09619 3/20 0.36
PDGFRA P16234 3/20 0.36
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
HRH2 P25021 1/20 0.35
HRH4 Q9H3N8 2/20 0.33
RET P07949 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
SCHEMBL13177946 0.85 TTK (0.35) ADORA3ADORA1
SCHEMBL4769111 0.81 TTK (0.41) ADORA1
SCHEMBL4769217 0.81 TTK (0.36) RET
SCHEMBL10171936 0.78 ADORA3 (0.55) ADORA3ADORA1ADORA2AGPR183
SCHEMBL10171219 0.75 ADORA3 (0.57) ADORA3ADORA1ADORA2AGPR183GABBR2
SCHEMBL10171965 0.74 ADORA3 (0.52) ADORA3ADORA1ADORA2AGPR183GABBR2
SCHEMBL3706266 0.74 ADORA3 (0.59) ADORA3ADORA1ADORA2AGPR183
SCHEMBL10171497 0.72 ADORA3 (0.52) ADORA3ADORA1ADORA2AGPR183JAK2
SCHEMBL10171297 0.72 ADORA3 (0.53) ADORA3ADORA1ADORA2AGPR183GABBR2
SCHEMBL10171934 0.72 ADORA3 (0.64) ADORA3ADORA1ADORA2AGPR183JAK2

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ADORA3 1744/4885ADORA1 2771/4885ADORA2A 1259/4885

“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.