SCHEMBL20667486

SCHEMBL20667486

Nc1cnc(-c2cc(F)c3ncccc3c2)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.54
▸ ADORA1 P30542 3/20 0.53
▸ ADORA3 P0DMS8 2/20 0.53
▸ FEN1 P39748 3/20 0.46
▸ PDE4D Q08499 1/20 0.42
▸ MET P08581 1/20 0.41
▸ TOP1 P11387 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ ALOX5AP P20292 2/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29520049 0.85 ADORA2A (0.72) ADORA2AADORA1PDE4DL3MBTL1
SCHEMBL20658647 0.85 ADORA2A (0.72) ADORA2AADORA1PDE4DL3MBTL1
SCHEMBL20392592 0.82 ADORA2A (0.57) ADORA2AADORA1ADORA3
SCHEMBL29669589 0.82 ADORA2A (0.57) ADORA2AADORA1ADORA3
SCHEMBL20658454 0.81 ADORA2A (0.78) ADORA2AADORA1ADORA3MET
SCHEMBL20666051 0.81 ADORA2A (0.52) ADORA2AADORA1ADORA3FEN1TOP1
SCHEMBL20667150 0.80 ADORA2A (0.50) ADORA2AADORA1ADORA3FEN1PDE4D
SCHEMBL22230317 0.80 ADORA2A (0.67) ADORA2AADORA1PDE4D
SCHEMBL20667492 0.78 ADORA2A (0.57) ADORA2AADORA1ADORA3PDE4D
SCHEMBL20658453 0.77 ADORA2A (0.67) ADORA2AADORA1ADORA3KDM4ENPC1

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
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 — — US disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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 (3 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-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 2/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885ADORA3 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.

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