SCHEMBL4769146

SCHEMBL4769146

O=c1c2[nH]c(-c3cnn(-c4ccccc4)c3)cc2n(Cc2ccccc2F)c(=O)n1Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.48
ADORA2A P29274 6/20 0.48
ADORA1 P30542 5/20 0.48
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.38
PCK1 P35558 3/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL4767749 0.90 ADORA2A (0.44) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4769108 0.87 ADORA2B (0.59) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4762247 0.86 ADORA2B (0.52) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4769722 0.83 ADORA2B (0.48) ADORA2BADORA2AADORA1ADORA3KMT2A
SCHEMBL4767640 0.82 ADORA2B (0.46) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769743 0.82 ADORA2B (0.58) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4770636 0.81 ADORA2A (0.46) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4769007 0.81 ADORA2B (0.57) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4763685 0.80 ADORA2A (0.50) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4766120 0.80 ADORA2B (0.54) ADORA2BADORA2AADORA1ADORA3

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.