SCHEMBL4771400

SCHEMBL4771400

O=c1c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(CCc2ccccc2)c(=O)n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.42
ADORA2A P29274 9/20 0.42
ADORA1 P30542 6/20 0.42
MTOR P42345 1/20 0.40
ADORA3 P0DMS8 4/20 0.40
CACNA1G O43497 3/20 0.38
CACNA1H O95180 3/20 0.38
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
PDE9A O76083 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4763155 0.90 ADORA2B (0.44) ADORA2BADORA2AADORA1ADORA3CACNA1G
SCHEMBL4765720 0.86 ADORA2A (0.55) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769036 0.86 ADORA2B (0.41) ADORA2BADORA2AADORA1MTORADORA3
SCHEMBL4791588 0.83 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3NPSR1
SCHEMBL4763932 0.81 ADORA2B (0.41) ADORA2BADORA2AADORA1MTORADORA3
SCHEMBL4771598 0.81 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4771398 0.79 ADORA2A (0.38) ADORA2BADORA2AADORA1MTORADORA3
SCHEMBL4764040 0.79 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4765122 0.77 ADORA2B (0.58) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4864154 0.77 HSP90AA1 (0.38) ADORA2BADORA2AADORA1MTORCACNA1G

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.