Sugi Predict

Sugi Predict / Compounds / SCHEMBL17596146

SCHEMBL17596146

SCHEMBL17596146

CC(C)(C)[Si](C)(C)OCc1cccc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ BRD4 O60885 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ PARP1 P09874 2/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ HTR1A P08908 2/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.32
▸ RET P07949 1/20 0.32
▸ DPP4 P27487 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31

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
SCHEMBL6030255 0.75 BCHE (0.40) BACE1HTR1AHTR1BDRD4DRD3
SCHEMBL18611003 0.75 PARP1 (0.42) HTR2AHTR2CBRD4ADORA2AADORA1
SCHEMBL15389825 0.75 BACE1 (0.42) BACE1
SCHEMBL763087 0.73 PARP1 (0.50) HTR2AHTR2CBRD4ADORA2AADORA1
SCHEMBL5467148 0.73 BACE1 (0.39) ADORA2ABACE1ALDH1A1
SCHEMBL2499560 0.72 PARP1 (0.41) HTR2AHTR2CBRD4ADORA2AADORA1
SCHEMBL22864272 0.72 HTR2A (0.47) HTR2AHTR2CBRD4ADORA2AADORA1
SCHEMBL29387450 0.72 BACE1 (0.48) BACE1
SCHEMBL22411820 0.71 IDO1 (0.46) BRD4BACE1DRD4DRD3DRD2
SCHEMBL31190663 0.71 IDO1 (0.46) BRD4BACE1DRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 — — US disclosed
EP-3191485-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE Bristol-Myers Squibb Company (US) 2017-07-19 — — EP disclosed
WO-2016040417-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 — — 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-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 HTR2A 3478/4885HTR2C 3437/4885BRD4 555/4885

“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.