SCHEMBL23928202

SCHEMBL23928202

Nc1ccc(CCNc2nc(N)n3nc(-c4ccco4)nc3n2)cc1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.85
ADORA3 P0DMS8 3/20 0.85
ADORA1 P30542 3/20 0.85
ADORA2B P29275 2/20 0.85
ALDH1A1 P00352 1/20 0.85
CYP1A2 P05177 1/20 0.85
CYP3A4 P08684 1/20 0.85
CYP2D6 P10635 1/20 0.85
CYP2C9 P11712 1/20 0.85
MAPK1 P28482 1/20 0.85
SMN1; SMN2 Q16637 1/20 0.85
TMEM97 Q5BJF2 1/20 0.85
HSD17B10 Q99714 1/20 0.85
HDAC1 Q13547 11/20 0.77
HDAC6 Q9UBN7 8/20 0.77

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
SCHEMBL29853768 0.94 ADORA2A (0.78) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23412639 0.93 ADORA2A (0.74) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9326818 0.93 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2BALDH1A1
Zm-241385 SCHEMBL194966 0.92 ADORA2A (1.00) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL26964863 0.92 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL9327254 0.92 ADORA2A (0.81) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23828893 0.91 ADORA2A (0.80) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL29853688 0.90 ADORA2A (0.85) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23291250 0.90 ADORA2A (0.79) ADORA2AADORA3ADORA1ADORA2BALDH1A1
SCHEMBL23291132 0.89 ADORA2A (0.83) ADORA2AADORA3ADORA1ADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814356-B1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS LTD (CN) 2026-03-11 EP disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
CN-111051309-B Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2023-05-26 CN disclosed
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US disclosed
EP-4065590-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS Aurigene Discovery Technologies Limited (IN) 2022-10-05 EP disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 US disclosed
CN-111051309-A Triazolotriazine derivatives useful as A2A receptor antagonists 浙江春禾医药科技有限公司 2020-04-21 CN 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-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 ADORA2A 1/4885ADORA3 5/4885ADORA1 4/4885
US-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA1 2/4885

“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.