SCHEMBL19946204

SCHEMBL19946204

CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)cc2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.86
▸ PGR P06401 1/20 0.86
▸ ADORA3 P0DMS8 1/20 0.86
▸ CHRM1 P11229 1/20 0.86
▸ DRD1 P21728 1/20 0.86
▸ TBXA2R P21731 1/20 0.86
▸ PTGS1 P23219 1/20 0.86
▸ SLC6A2 P23975 1/20 0.86
▸ FPR3 P25089 1/20 0.86
▸ PDE4A P27815 1/20 0.86
▸ GPR183 P32249 1/20 0.86
▸ DRD3 P35462 1/20 0.86
▸ SLC6A3 Q01959 1/20 0.86
▸ KCNH2 Q12809 1/20 0.86
▸ PDE3A Q14432 1/20 0.86
▸ TMEM97 Q5BJF2 1/20 0.86
▸ SLC29A1 Q99808 1/20 0.86
▸ P2RY13 Q9BPV8 1/20 0.86

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
SCHEMBL29707994 1.00 P2RY12 (0.86) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL18674056 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17679477 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL20208100 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL16296587 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL24418222 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL17244412 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL22375060 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL20866157 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1
Ticagrelor SCHEMBL2612402 0.93 P2RY12 (1.00) P2RY12PGRADORA3CHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3509598-B1 NEW USE OF TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION UNIV LIEGE (BE) 2020-10-07 — — EP claimed
US-20200093826-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION GESVAL S.A. (BE) 2020-03-26 — — US claimed
US-20190194213-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION Université de Liège (BE) 2019-06-27 — — US claimed
EP-3292867-B1 TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR USE IN THE PREVENTION AND TREATMENT OF BACTERIAL INFECTION UNIV LIEGE (BE) 2019-05-15 — — EP claimed
EP-3292867-A1 NEW USE OF TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION Université de Liège (BE) 2018-03-14 — — EP claimed
US-10905691-B2 Use of triazolo(4,5-d)pyrimidine derivatives for prevention and treatment of bacterial infection Université de Liège (BE) 2021-02-02 — — US disclosed
EP-3509598-B1 NEW USE OF TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION UNIV LIEGE (BE) 2020-10-07 — — EP disclosed
US-20200093826-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION GESVAL S.A. (BE) 2020-03-26 — — US disclosed
US-20190194213-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION Université de Liège (BE) 2019-06-27 — — US disclosed
EP-3292867-B1 TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR USE IN THE PREVENTION AND TREATMENT OF BACTERIAL INFECTION UNIV LIEGE (BE) 2019-05-15 — — EP disclosed
EP-3292867-A1 NEW USE OF TRIAZOLO(4,5-D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION Université de Liège (BE) 2018-03-14 — — 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 (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-20200093826-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION XDH, FPR3, HRH3 P2RY12 1840/4885PGR 1571/4885ADORA3 247/4885
US-10905691-B2 Use of triazolo(4,5-d)pyrimidine derivatives for prevention and treatment of bacterial infection XDH, FPR3, HRH3 P2RY12 1935/4885PGR 1453/4885ADORA3 284/4885
US-20190194213-A1 NEW USE OF TRIAZOLO(4,5 D)PYRIMIDINE DERIVATIVES FOR PREVENTION AND TREATMENT OF BACTERIAL INFECTION TYMP, TYMS, P2RX5 P2RY12 51/4885PGR 2898/4885ADORA3 153/4885

“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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