SCHEMBL20658605

SCHEMBL20658605

Nc1cnc(-c2ccc3ncsc3c2)c(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.56
▸ ADORA2A P29274 3/20 0.54
▸ TGFBR1 P36897 6/20 0.43
▸ RIPK1 Q13546 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ SMAD2 Q15796 1/20 0.40
▸ VRK1 Q99986 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ PFKFB3 Q16875 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APP P05067 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL20658696 0.82 DYRK1A (0.52) DYRK1AADORA2ATGFBR1RIPK1MAPK14
SCHEMBL20667098 0.81 DYRK1A (0.58) DYRK1AADORA2ATGFBR1RIPK1PIK3CA
SCHEMBL20667135 0.79 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL20658510 0.79 DYRK1A (0.49) DYRK1AADORA2ATGFBR1RIPK1MAPK14
SCHEMBL20658558 0.78 ADORA2A (0.59) ADORA2ATGFBR1MAPK14PIK3CAKMT2A
SCHEMBL2031287 0.78 ADORA2A (0.64) ADORA2AKMT2AATMTLR9ALDH1A1
SCHEMBL29678556 0.78 ADORA2A (0.64) ADORA2AKMT2AATMTLR9ALDH1A1
SCHEMBL6032917 0.76 DYRK1A (0.62) DYRK1ATGFBR1RIPK1MAPK14PIK3CA
SCHEMBL20658540 0.76 ADORA2A (0.63) ADORA2APIK3CAKMT2AALDH1A1HSD17B10
SCHEMBL20658453 0.76 ADORA2A (0.67) DYRK1AADORA2ATGFBR1PIK3CAPI4KB

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 DYRK1A 3065/4885ADORA2A 1/4885TGFBR1 2712/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 DYRK1A 3065/4885ADORA2A 1/4885TGFBR1 2712/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 DYRK1A 3065/4885ADORA2A 1/4885TGFBR1 2712/4885

“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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