SCHEMBL23291333

SCHEMBL23291333

Nc1nc(NCCc2ccc(OCC(F)(F)F)cc2)nc2nc(-c3ccco3)nn12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2B P29275 2/20 0.71
ADORA1 P30542 2/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
MAPK1 P28482 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TMEM97 Q5BJF2 1/20 0.71
HSD17B10 Q99714 1/20 0.71
HDAC1 Q13547 9/20 0.70
HDAC6 Q9UBN7 8/20 0.70

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
SCHEMBL23928235 0.93 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23291397 0.89 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23928213 0.89 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23291245 0.87 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL26964785 0.87 ADORA2A (0.79) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23291415 0.86 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23928159 0.86 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23291393 0.85 ADORA2A (0.76) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23928156 0.85 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1ALDH1A1
SCHEMBL23928118 0.85 ADORA2A (0.73) ADORA2AADORA3ADORA2BADORA1ALDH1A1

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
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
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
EP-3814356-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS Zhejiang Vimgreen Pharmaceuticals, Ltd (CN) 2021-05-05 EP 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 (2 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 4/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 4/4885

“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.