SCHEMBL20658647

SCHEMBL20658647

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

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.72
▸ PDE4D Q08499 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ ADORA1 P30542 1/20 0.40
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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 1.00 ADORA2A (0.72) ADORA2APDE4DALDH1A1ADORA1CCR1
SCHEMBL22230317 0.90 ADORA2A (0.67) ADORA2APDE4DADORA1
SCHEMBL20666368 0.87 ADORA2A (0.60) ADORA2AALDH1A1ADORA1CCR1CCR8
SCHEMBL20658546 0.85 ADORA2A (0.67) ADORA2APDE4DALDH1A1CCR1CCR8
SCHEMBL20667486 0.85 ADORA2A (0.54) ADORA2APDE4DADORA1L3MBTL1
SCHEMBL20667699 0.84 ADORA2A (0.58) ADORA2AALDH1A1ADORA1CCR1CCR8
SCHEMBL20666221 0.84 ADORA2A (0.58) ADORA2AALDH1A1ADORA1CCR1CCR8
SCHEMBL22230387 0.84 ADORA2A (1.00) ADORA2APDE4D
SCHEMBL20666636 0.83 ADORA2A (0.71) ADORA2AALDH1A1
SCHEMBL20666611 0.83 ADORA2A (0.68) ADORA2APDE4DCCR1CCR8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066315-A1 COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY LLC 2023-03-02 — — US disclosed
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-09-22 — — US disclosed
US-11306071-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2022-04-19 — — US disclosed
CN-113924095-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2022-01-11 — — CN disclosed
EP-3911322-A1 COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2021-11-24 — — EP disclosed
EP-3911323-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2021-11-24 — — EP disclosed
CN-113613655-A Compound and use thereof 诺维逊生物股份有限公司 2021-11-05 — — CN disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 — — US disclosed
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-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 — — US disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
WO-2020150675-A1 COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 — — US disclosed
WO-2020150675-A1 COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 — — WO disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 — — US disclosed
CN-111163780-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2020-05-15 — — CN disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 — — 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 (7 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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 115/4885ALDH1A1 1963/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 151/4885ALDH1A1 2100/4885
US-20230066315-A1 COMPOUNDS AND USES THEREOF ADORA2A, GRK2, GRK4 ADORA2A 1/4885PDE4D 52/4885ALDH1A1 1925/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 151/4885ALDH1A1 2100/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 151/4885ALDH1A1 2100/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 151/4885ALDH1A1 2100/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885PDE4D 115/4885ALDH1A1 1963/4885

“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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