SCHEMBL4769664

SCHEMBL4769664

Cn1cc(-c2cc3c([nH]2)c(=O)n(C2CCC2)c(=O)n3C2CCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.41
BTK Q06187 4/20 0.38
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
CREBBP Q92793 2/20 0.36
PRKDC P78527 5/20 0.36
KIT P10721 1/20 0.35
EGFR P00533 1/20 0.35
MTOR P42345 2/20 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
SCHEMBL4769036 0.83 ADORA2B (0.41) PIK3CAADORA2AADORA2BCREBBPPRKDC
SCHEMBL4763154 0.82 BTK (0.40) PIK3CABTKADORA2AADORA2BCREBBP
SCHEMBL4763155 0.82 ADORA2B (0.44) BTKADORA2AADORA2BEGFR
SCHEMBL4767535 0.82 ADORA2B (0.41) PIK3CAADORA2AADORA2B
SCHEMBL4769040 0.77 ADORA2B (0.47) ADORA2AADORA2B
SCHEMBL4768977 0.75 ADORA2B (0.49) PIK3CAADORA2AADORA2B
SCHEMBL4763184 0.72 ADORA2B (0.51) ADORA2AADORA2B
SCHEMBL4769670 0.72 ADORA2A (0.38) PIK3CABTKADORA2AADORA2B
SCHEMBL4771398 0.72 ADORA2A (0.38) BTKADORA2AADORA2BCREBBPMTOR
SCHEMBL4771400 0.72 ADORA2B (0.42) ADORA2AADORA2BMTOR

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 PIK3CA 1283/4885BTK 4169/4885ADORA2A 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.