SCHEMBL20658482

SCHEMBL20658482

Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.68
MCL1 Q07820 1/20 0.52
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
DYRK1A Q13627 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
ATR Q13535 1/20 0.47

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
SCHEMBL20658662 0.91 ADORA2A (0.67) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL20657835 0.90 ADORA2A (0.69) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL20667751 0.88 ADORA2A (0.69) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL22230324 0.86 ADORA2A (0.67) ADORA2AMCL1
SCHEMBL20667480 0.86 NPC1 (0.62) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL22242396 0.84 ADORA2A (0.69) ADORA2AATR
SCHEMBL20667524 0.84 ADORA2A (0.59) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL20658691 0.83 ADORA2A (0.56) ADORA2AMCL1NPC1POLBRAB9A
SCHEMBL3866288 0.82 PLAU (0.59) ADORA2ANPC1RAB9AADORA1
SCHEMBL20658423 0.80 NPC1 (0.54) ADORA2AMCL1NPC1POLBRAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-09-22 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 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-3911325-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS 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-113631167-A Heterocyclic compounds as adenosine antagonists 诺维逊生物股份有限公司 2021-11-09 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-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 US disclosed
WO-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS 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-2020150674-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
WO-2020150677-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC. (US) 2020-07-23 WO disclosed
EP-3654978-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2020-05-27 EP 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
WO-2019018584-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS GiraFpharma LLC (US) 2019-01-24 WO 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 (6 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 1/4885MCL1 538/4885NPC1 3458/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MCL1 768/4885NPC1 4008/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MCL1 768/4885NPC1 4008/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MCL1 768/4885NPC1 4008/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MCL1 768/4885NPC1 4008/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885MCL1 538/4885NPC1 3458/4885

“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.