Sugi Predict

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SCHEMBL15057950

SCHEMBL15057950

CCCSc1nc(O)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 16/20 0.65
▸ PGR P06401 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.61
▸ CHRM1 P11229 1/20 0.61
▸ DRD1 P21728 1/20 0.61
▸ TBXA2R P21731 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ SLC6A2 P23975 1/20 0.61
▸ FPR3 P25089 1/20 0.61
▸ PDE4A P27815 1/20 0.61
▸ GPR183 P32249 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ SLC6A3 Q01959 1/20 0.61
▸ KCNH2 Q12809 1/20 0.61
▸ PDE3A Q14432 1/20 0.61
▸ TMEM97 Q5BJF2 1/20 0.61
▸ SLC29A1 Q99808 1/20 0.61
▸ P2RY13 Q9BPV8 1/20 0.61

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
SCHEMBL15048854 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859674 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859655 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15846303 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16800343 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15859666 0.91 P2RY12 (0.64) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL17665995 0.90 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL16303344 0.90 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL29351640 0.90 P2RY12 (0.65) P2RY12PGRADORA3CHRM1DRD1
SCHEMBL15077319 0.85 P2RY12 (0.73) 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-2794575-B1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS (SI) 2018-12-05 — — EP disclosed
US-9278972-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-03-08 — — US disclosed
US-9278972-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-03-08 — — US disclosed
US-9278972-B2 Synthesis of triazolopyrimidine compounds LEK PHARMACEUTICALS D.D. (SI) 2016-03-08 — — US disclosed
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-12-18 — — US disclosed
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-12-18 — — US disclosed
US-20140371449-A1 Synthesis of Triazolopyrimidine Compounds LEK PHARMACEUTICALS D.D. (SI) 2014-12-18 — — US disclosed
EP-2794575-A1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK Pharmaceuticals d.d. (SI) 2014-10-29 — — EP disclosed
WO-2013092900-A1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-06-27 — — WO disclosed
WO-2013092900-A1 SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2013-06-27 — — WO 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-20140371449-A1 Synthesis of Triazolopyrimidine Compounds TBXAS1, TYMS, FDPS P2RY12 90/4885PGR 2343/4885ADORA3 734/4885

“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.