SCHEMBL20658596

SCHEMBL20658596

Nc1cnc(-c2ccc(O)cc2)c(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.67
ADORA1 P30542 8/20 0.59
KMT2A Q03164 4/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.51
USP7 Q93009 1/20 0.47
MMP3 P08254 1/20 0.47
BCL2L1 Q07817 1/20 0.47
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
PIK3CG P48736 1/20 0.44
RPS6KA3 P51812 1/20 0.44
NTSR1 P30989 1/20 0.43
GFER P55789 1/20 0.43
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR1 P21554 1/20 0.42

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
SCHEMBL2031287 0.89 ADORA2A (0.64) ADORA2AADORA1KMT2AMEN1MAPT
SCHEMBL29678556 0.89 ADORA2A (0.64) ADORA2AADORA1KMT2AMEN1MAPT
SCHEMBL20666178 0.88 ADORA2A (0.65) ADORA2AADORA1KMT2AMEN1USP7
SCHEMBL20658466 0.83 ADORA2A (0.58) ADORA2AADORA1KMT2AMEN1CKS1B
SCHEMBL27328541 0.81 KMT2A (0.59) ADORA2AADORA1KMT2AMEN1MAPT
SCHEMBL20600757 0.81 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL20658539 0.81 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL20658540 0.80 ADORA2A (0.63) ADORA2AADORA1KMT2AMEN1MAPT
SCHEMBL20658472 0.80 ADORA2A (0.75) ADORA2AADORA1CKS1BSKP1SKP2
SCHEMBL20666629 0.80 ADORA2A (0.63) ADORA2AADORA1CKS1BSKP1SKP2

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 9 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-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
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 (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 3/4885KMT2A 2807/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885KMT2A 2807/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885KMT2A 2807/4885

“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.