SCHEMBL5729274

SCHEMBL5729274

OC1C(n2nnc3c(NC4CC4)nc(Sc4ccc(C(F)(F)F)cc4)nc32)CC[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 15/20 0.48
▸ PGR P06401 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SLC29A1 Q99808 1/20 0.33
▸ P2RY13 Q9BPV8 1/20 0.33
▸ AHCY P23526 1/20 0.33

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
SCHEMBL5729273 1.00 P2RY12 (0.48) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7865713 0.85 P2RY12 (0.55) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6999650 0.85 P2RY12 (0.55) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL6999646 0.85 P2RY12 (0.55) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7509164 0.85 P2RY12 (0.52) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7511198 0.85 P2RY12 (0.52) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL7509161 0.85 P2RY12 (0.52) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL5729000 0.84 P2RY12 (0.48) P2RY12PGRADORA3CHRM1DRD1
Bicarbonate SCHEMBL7514070 0.82 P2RY12 (0.52) P2RY12
Carbamic Acid SCHEMBL7502884 0.81 P2RY12 (0.53) P2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335919-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2006-11-15 — — EP claimed
US-7034032-B2 Cyclopentan-2-ol-1-yl-[1,2,3]triazolo[4,5-D]pyrimidine compounds ASTRAZENECA AB (SE) 2006-04-25 — — US claimed
US-20040023988-A1 Novel compounds ASTRAZENECA AB (SE) 2004-02-05 — — US claimed
EP-1335919-B1 TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2006-11-15 — — EP disclosed
US-7034032-B2 Cyclopentan-2-ol-1-yl-[1,2,3]triazolo[4,5-D]pyrimidine compounds ASTRAZENECA AB (SE) 2006-04-25 — — US disclosed
US-20040023988-A1 Novel compounds ASTRAZENECA AB (SE) 2004-02-05 — — US 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 (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-20040023988-A1 Novel compounds DPYD, TYMP, TYMS P2RY12 132/4885PGR 1963/4885ADORA3 369/4885

“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.

Send feedback