SCHEMBL29583907

SCHEMBL29583907

CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn(C3CC(O)C(O)C3O)c2n1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.87
▸ PGR P06401 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ DRD1 P21728 1/20 0.78
▸ TBXA2R P21731 1/20 0.78
▸ PTGS1 P23219 1/20 0.78
▸ SLC6A2 P23975 1/20 0.78
▸ FPR3 P25089 1/20 0.78
▸ PDE4A P27815 1/20 0.78
▸ GPR183 P32249 1/20 0.78
▸ DRD3 P35462 1/20 0.78
▸ SLC6A3 Q01959 1/20 0.78
▸ KCNH2 Q12809 1/20 0.78
▸ PDE3A Q14432 1/20 0.78
▸ TMEM97 Q5BJF2 1/20 0.78
▸ SLC29A1 Q99808 1/20 0.78
▸ P2RY13 Q9BPV8 1/20 0.78
▸ CYP2C9 P11712 1/20 0.76

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
SCHEMBL14789946 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL21117018 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL21803791 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6999645 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29349818 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL24418219 1.00 P2RY12 (0.87) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL4912859 0.95 P2RY12 (0.79) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL3616697 0.95 P2RY12 (0.79) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29688114 0.95 P2RY12 (0.79) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17736341 0.94 P2RY12 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113677684-B New application of triazolo [4,5-d ] pyrimidine derivative 列日大学 2024-11-15 — — CN claimed
CN-109689061-B Novel use of triazolo (4, 5-d) pyrimidine derivatives for the prevention and treatment of bacterial infections 列日大学 2023-03-31 — — CN claimed
US-20220143226-A1 USE OF TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES Université de Liège (BE) 2022-05-12 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220143226-A1 USE OF TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES TYMP, TYMS, TK1 P2RY12 443/4885PGR 2959/4885ADORA3 304/4885

“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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