SCHEMBL3609230

SCHEMBL3609230

CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCC(=O)O)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 18/20 0.66
▸ PGR P06401 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ DRD1 P21728 1/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ SLC6A2 P23975 1/20 0.66
▸ FPR3 P25089 1/20 0.66
▸ PDE4A P27815 1/20 0.66
▸ GPR183 P32249 1/20 0.66
▸ DRD3 P35462 1/20 0.66
▸ SLC6A3 Q01959 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ PDE3A Q14432 1/20 0.66
▸ TMEM97 Q5BJF2 1/20 0.66
▸ SLC29A1 Q99808 1/20 0.66
▸ P2RY13 Q9BPV8 1/20 0.66
▸ CYP2C9 P11712 1/20 0.60

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
SCHEMBL13192072 1.00 P2RY12 (0.66) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16802407 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL18674025 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14781683 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17679482 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29687890 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14895049 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL18674062 0.94 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192517 0.93 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16802375 0.93 P2RY12 (0.64) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135391-B1 NOVEL TRIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 — — EP claimed
US-9056838-B2 Intermediates and processes for preparing Ticagrelor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-06-16 — — US disclosed
US-9056838-B2 Intermediates and processes for preparing Ticagrelor TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2015-06-16 — — US disclosed
WO-2012138981-A2 NEW INTERMEDIATES AND PROCESSES FOR PREPARING TICAGRELOR TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2012-10-11 — — WO disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 — — US disclosed
US-20070293513-A1 Cristalline and amorphous form of a triazolo (4,5-d) pyridimine compound ASTRAZENECA AB (SE) 2007-12-20 — — US disclosed
US-20070173518-A1 CRISTALLINE AND AMORPHOUS FORM OF A TRIAZOLO (4,5-D) PYRIDIMINE COMPOUND ASTRAZENECA AB (SE) 2007-07-26 — — US disclosed
EP-1289992-B1 NEW CRYSTALLINE FORM OF A TRIAZOLO(4,5-D)PYRIMIDINE COMPOUND ASTRAZENECA AB (SE) 2006-03-15 — — EP disclosed
EP-1493745-A1 New crystalline and amorphous form of a triazolo(4,5-D)pyrimidine compound AstraZeneca AB (SE) 2005-01-05 — — EP disclosed
US-20030181469-A1 Crystalline and amorphous form of a triazolo(4,5-d)pyrimidine compound ASTRA ZENCA AB (SE) 2003-09-25 — — 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 (4 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-20070293513-A1 Cristalline and amorphous form of a triazolo (4,5-d) pyridimine compound PNPO, MT-ND5, CYP3A5 P2RY12 1838/4885PGR 3117/4885ADORA3 493/4885
US-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 P2RY12 2614/4885PGR 2057/4885ADORA3 981/4885
US-20030181469-A1 Crystalline and amorphous form of a triazolo(4,5-d)pyrimidine compound TYMP, TYMS, DPYD P2RY12 261/4885PGR 3490/4885ADORA3 197/4885
US-20070173518-A1 CRISTALLINE AND AMORPHOUS FORM OF A TRIAZOLO (4,5-D) PYRIDIMINE COMPOUND MT-ND5, PNPO, PDXK P2RY12 1894/4885PGR 2852/4885ADORA3 430/4885

“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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