SCHEMBL4896986

SCHEMBL4896986

CC(C)Cn1c(-c2cnn(Cc3ccccc3C(F)(F)F)c2)c([N+](=O)[O-])c(=O)n(C(C)c2ccccc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.43
ADORA1 P30542 10/20 0.43
ADORA2A P29274 9/20 0.43
ADORA3 P0DMS8 6/20 0.38
GNRHR P30968 3/20 0.37
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC16A1 P53985 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPBWR1 P48145 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
SCHEMBL4917939 0.91 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4893609 0.91 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4865952 0.90 ADORA2B (0.41) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4764001 0.86 ADORA2A (0.37) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4896993 0.86 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4897003 0.84 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3ALDH1A1
SCHEMBL4899401 0.84 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4916172 0.82 ADORA2B (0.45) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4891718 0.82 ADORA2B (0.41) ADORA2BADORA1ADORA2AADORA3GNRHR
SCHEMBL4863582 0.81 DCTPP1 (0.37) ADORA2BADORA1ADORA2AADORA3ALDH1A1

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-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 1/4885ADORA1 4/4885ADORA2A 2/4885

“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.