Sugi Predict

Sugi Predict / Compounds / SCHEMBL523945

SCHEMBL523945

SCHEMBL523945

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ CYP2C19 P33261 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42
▸ PDK4 Q16654 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ CHRM4 P08173 1/20 0.41
▸ GRIN2B Q13224 6/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL6477806 0.89 SMN1; SMN2 (0.46) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21193584 0.83 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3868085 0.83 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13456914 0.82 MEN1 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL524207 0.82 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL524206 0.82 SMN1; SMN2 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14936417 0.81 MEN1 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21193716 0.81 MEN1 (0.41) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21682722 0.81 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2068861 0.81 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 — — EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
EP-2417128-A2 6-(3-AZA-BICYCLOÝ3.1.0¨HEX-3-YL)-2-PHENYL-PYRIMIDINES Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 — — EP disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 — — US disclosed
WO-2010116328-A2 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 — — 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 MEN1 4360/4885KMT2A 3240/4885NPSR1 331/4885

“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.