SCHEMBL4252590

SCHEMBL4252590

CCCCn1c(=O)n(CCCCc2nc(-c3ccccc3F)no2)c(=O)c2[nH]c(C(F)(F)F)nc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 15/20 0.50
ADORA1 P30542 9/20 0.50
ADORA2A P29274 4/20 0.50
ADORA3 P0DMS8 7/20 0.49
PCK1 P35558 3/20 0.43

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
SCHEMBL4253081 0.89 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3
SCHEMBL836837 0.88 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3PCK1
SCHEMBL4251182 0.87 ADORA2B (0.56) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4253981 0.86 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3
SCHEMBL843686 0.85 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3
SCHEMBL843951 0.83 ADORA2B (0.48) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4251299 0.80 ADORA2A (0.45) ADORA2BADORA1ADORA2APCK1
SCHEMBL4254297 0.77 ADORA2B (0.42) ADORA2BADORA1ADORA2AADORA3PCK1
SCHEMBL4250791 0.77 SIRT1 (0.51) ADORA2BADORA1ADORA2AADORA3
SCHEMBL843767 0.76 ADORA2B (0.63) ADORA2BADORA1ADORA2AADORA3

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
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity XDH, HCAR1, GPR84 ADORA2B 131/4885ADORA1 24/4885ADORA2A 9/4885

“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.