SCHEMBL20401368

SCHEMBL20401368

CCC(CC)(CC(=O)O)c1cccc(Cn2cc(-c3cc(-c4cccc(I)c4C#N)nc(N)n3)nn2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 19/20 0.56
▸ ADORA2B P29275 18/20 0.56
▸ ADORA1 P30542 1/20 0.56

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
SCHEMBL20400552 0.92 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL20400587 0.87 ADORA2A (0.58) ADORA2AADORA2BADORA1
SCHEMBL30401959 0.85 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL20416599 0.85 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL20401347 0.82 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20401358 0.82 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL20401149 0.79 ADORA2A (0.48) ADORA2AADORA2BADORA1
SCHEMBL20401323 0.79 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL20401320 0.79 ADORA2A (0.64) ADORA2AADORA2BADORA1
SCHEMBL30401435 0.79 ADORA2A (0.64) ADORA2AADORA2BADORA1

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
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO disclosed
US-20160058875-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. (US) 2016-03-03 — — 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-20160058875-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ADORA2A 2680/4885ADORA2B 3571/4885ADORA1 3367/4885

“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.

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