SCHEMBL20436594

SCHEMBL20436594

CCCOc1ccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.49
▸ ADORA2B P29275 13/20 0.49
▸ CYP19A1 P11511 2/20 0.47
▸ MAPT P10636 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ TEK Q02763 1/20 0.42

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
SCHEMBL30399770 0.92 ADORA2A (0.49) ADORA2AADORA2BCYP19A1MAPTKDR
SCHEMBL20400249 0.92 ADORA2A (0.49) ADORA2AADORA2BCYP19A1MAPTKDR
SCHEMBL20436595 0.86 ADORA2A (0.62) ADORA2AADORA2BCYP19A1KDR
SCHEMBL20436589 0.84 ADORA2A (0.51) ADORA2AADORA2BCYP19A1
SCHEMBL30401330 0.84 ADORA2A (0.52) ADORA2AADORA2BCYP19A1KDRTEK
SCHEMBL20401354 0.84 ADORA2A (0.52) ADORA2AADORA2BCYP19A1KDRTEK
SCHEMBL20436596 0.82 ADORA2A (0.54) ADORA2AADORA2BCYP19A1
SCHEMBL20416780 0.82 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL30401218 0.82 ADORA2A (0.49) ADORA2AADORA2BCYP19A1
SCHEMBL20401255 0.81 ADORA2A (0.50) ADORA2AADORA2BCYP19A1KDRTEK

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 2/4885CYP19A1 1735/4885

“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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