SCHEMBL20436596

SCHEMBL20436596

Cc1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.54
▸ ADORA2B P29275 11/20 0.54
▸ ROCK2 O75116 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ CYP19A1 P11511 1/20 0.46
▸ ADORA1 P30542 1/20 0.45
▸ KLKB1 P03952 1/20 0.45

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
SCHEMBL20436589 0.90 ADORA2A (0.51) ADORA2AADORA2BCYP19A1ADORA1KLKB1
SCHEMBL20436595 0.90 ADORA2A (0.62) ADORA2AADORA2BROCK2GSK3BAURKB
SCHEMBL20436604 0.88 ADORA2A (0.51) ADORA2AADORA2BCYP19A1ADORA1KLKB1
SCHEMBL20416780 0.88 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL20436598 0.88 ADORA2A (0.49) ADORA2AADORA2BCYP19A1ADORA1KLKB1
SCHEMBL30401218 0.88 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL20401354 0.86 ADORA2A (0.52) ADORA2AADORA2BCYP19A1
SCHEMBL30401330 0.86 ADORA2A (0.52) ADORA2AADORA2BCYP19A1
SCHEMBL20401295 0.85 TEK (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL30402264 0.85 TEK (0.51) ADORA2AADORA2BCYP19A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 — — 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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 ADORA2A 1/4885ADORA2B 2/4885ROCK2 3684/4885

“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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