SCHEMBL4948776

SCHEMBL4948776

CCCSc1nc(Cl)c2nnn([C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)OC34)c2n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.49
▸ PGR P06401 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ FPR3 P25089 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ P2RY13 Q9BPV8 1/20 0.46

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
SCHEMBL2130983 1.00 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL4950559 1.00 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL2612406 1.00 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL2412436 1.00 P2RY12 (0.49) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16800339 0.94 P2RY12 (0.42) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192687 0.92 P2RY12 (0.47) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL13192763 0.92 P2RY12 (0.47) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL26532131 0.91 P2RY12 (0.39) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL19445332 0.90 P2RY12 (0.40) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL14900250 0.90 P2RY12 (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604991-B2 Preparation method of ticagrelor and intermediates thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-03-28 — — US disclosed
US-20160102101-A1 Preparation method of Ticagrelor and intermediates thereof SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2016-04-14 — — US disclosed
WO-2016030704-A1 SOLID FORM OF INTERMEDIATE OF TICAGRELOR CIPLA LIMITED (IN) 2016-03-03 — — WO disclosed
WO-2014102830-A1 A PROCESS FOR PREPARATION OF TICAGRELOR AND INTERMEDIATES THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2014-07-03 — — WO disclosed
US-7381828-B2 Triazolo pyrimidine compounds AstraZēneca AB (SE) 2008-06-03 — — US disclosed
US-20070049755-A1 Novel triazolo pyrimidine compounds ASTRAZENECA AB (SE) 2007-03-01 — — 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 (2 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-20070049755-A1 Novel triazolo pyrimidine compounds TYMS, TYMP, DPYD P2RY12 191/4885PGR 2439/4885ADORA3 320/4885
US-20160102101-A1 Preparation method of Ticagrelor and intermediates thereof TPMT, NUDT1, ITPA P2RY12 66/4885PGR 1972/4885ADORA3 34/4885

“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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