SCHEMBL21731087

SCHEMBL21731087

Cc1cc(-c2c(-c3ccccc3)nc(N)n3nc(CO)nc23)cc(C(F)(F)F)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.61
ADORA2B P29275 12/20 0.61
ADORA1 P30542 10/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR55 Q9Y2T6 1/20 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
SCHEMBL21731181 0.91 ADORA2A (0.61) ADORA2AADORA2BADORA1
SCHEMBL21731211 0.91 ADORA2A (0.62) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL21731083 0.90 ADORA2A (0.61) ADORA2AADORA2BADORA1
SCHEMBL21731079 0.90 ADORA2A (0.57) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL21731126 0.89 ADORA2A (0.63) ADORA2AADORA2BADORA1
SCHEMBL21731088 0.89 ADORA2A (0.61) ADORA2AADORA2BADORA1
SCHEMBL21731022 0.89 ADORA2A (0.59) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL21731271 0.87 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL21731159 0.87 ADORA2A (0.66) ADORA2AADORA2BADORA1MEN1KMT2A
SCHEMBL21731157 0.86 ADORA2A (0.68) ADORA2AADORA2BADORA1MEN1KMT2A

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
US-11649239-B2 Crystal form a of (5-amino-8-(2-methyl-6-(trifluoromethyl)pyridin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methanol (compound 1) MEDSHINE DISCOVERY INC. (CN) 2023-05-16 US claimed
US-11649239-B2 Crystal form a of (5-amino-8-(2-methyl-6-(trifluoromethyl)pyridin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methanol (compound 1) MEDSHINE DISCOVERY INC. (CN) 2023-05-16 US disclosed
US-11649239-B2 Crystal form a of (5-amino-8-(2-methyl-6-(trifluoromethyl)pyridin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methanol (compound 1) MEDSHINE DISCOVERY INC. (CN) 2023-05-16 US disclosed
US-11649239-B2 Crystal form a of (5-amino-8-(2-methyl-6-(trifluoromethyl)pyridin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methanol (compound 1) MEDSHINE DISCOVERY INC. (CN) 2023-05-16 US disclosed
EP-3611174-B1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC (CN) 2022-06-08 EP disclosed
US-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor MEDSHINE DISCOVERY INC. (CN) 2021-09-14 US disclosed
US-11066411-B2 2021-07-20 US disclosed
US-20210094957-A1 CRYSTAL FORM AND SALT TYPE OF TRIAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREOF MEDSHINE DISCOVERY INC. (CN) 2021-04-01 US disclosed
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2020-04-30 US disclosed
EP-3611174-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR Medshine Discovery Inc. (CN) 2020-02-19 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 (5 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-11117899-B2 [1,2,4]triazolo[1,5-c]pyrimidine derivative as A2A receptor inhibitor ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA1 2/4885
US-11066411-B2 ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA2B 3/4885ADORA1 2/4885
US-11649239-B2 Crystal form a of (5-amino-8-(2-methyl-6-(trifluoromethyl)pyridin-4-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)methanol (compound 1) ADORA2A, ADORA1, HTR5A ADORA2A 1/4885ADORA2B 8/4885ADORA1 2/4885
US-20200131184-A1 [1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE DERIVATIVE AS A2A RECEPTOR INHIBITOR ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 4/4885ADORA1 2/4885
US-20210094957-A1 CRYSTAL FORM AND SALT TYPE OF TRIAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREOF ADORA2A, ADORA1, ADORA3 ADORA2A 1/4885ADORA2B 7/4885ADORA1 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.