SCHEMBL20436388

SCHEMBL20436388

CCc1cccc(Cn2cc(-c3cc(-c4cc(OC)cc(OC)c4)nc(N)n3)nn2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.47
▸ ADORA2B P29275 10/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CD74 P04233 1/20 0.40
▸ MIF P14174 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HRH2 P25021 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL20436399 0.93 ADORA2A (0.49) ADORA2AADORA2BADORA1CD74MIF
SCHEMBL20436403 0.93 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20416569 0.91 ADORA2A (0.45) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL30401219 0.91 ADORA2A (0.45) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL20436694 0.87 ADORA2A (0.50) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL20436414 0.86 ADORA2A (0.48) ADORA2AADORA2BADORA1
SCHEMBL20436397 0.86 ADORA2A (0.43) ADORA2AADORA2BADORA1
SCHEMBL20436405 0.84 ADORA2A (0.46) ADORA2AADORA2BADORA1
SCHEMBL20436404 0.84 ADORA2A (0.48) ADORA2AADORA2BADORA1
SCHEMBL20436398 0.84 ADORA2A (0.50) 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 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 2/4885ADORA1 3/4885

“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.

Send feedback