SCHEMBL22230366

SCHEMBL22230366

COC(=O)c1nc(-c2ccc3ncccc3c2)c(-c2cccc(C#N)c2)nc1N

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.69
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
PDE4A P27815 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
TGFBR1 P36897 2/20 0.44

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
SCHEMBL22230324 0.89 ADORA2A (0.67) ADORA2APDE4APDE4CPDE4D
SCHEMBL22253168 0.89 ADORA2A (0.56) ADORA2AALOX15HTTPDE4APDE4C
SCHEMBL20667751 0.86 ADORA2A (0.69) ADORA2AALOX15HTT
SCHEMBL22253502 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL22253426 0.82 ADORA2A (1.00) ADORA2A
SCHEMBL22253427 0.82 ADORA2A (0.76) ADORA2A
SCHEMBL22253885 0.81 ADORA2A (0.72) ADORA2ATGFBR1
SCHEMBL22230346 0.80 ADORA2A (0.56) ADORA2APDE4APDE4CPDE4DTGFBR1
SCHEMBL22230206 0.79 ADORA2A (0.58) ADORA2APDE4APDE4CPDE4DTGFBR1
SCHEMBL22253968 0.78 ADORA2A (0.70) ADORA2APDE4APDE4CPDE4DTGFBR1

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 7 patents. 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-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-3911323-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS Nuvation Bio Inc. (US) 2021-11-24 EP disclosed
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-23 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

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-11306071-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1701/4885HTT 3291/4885
US-20200231570-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1885/4885HTT 3160/4885
US-20220298142-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ALOX15 1701/4885HTT 3291/4885

“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.