SCHEMBL5558787

SCHEMBL5558787

COc1cnc(N2CCOCC2)cc1N(S)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.41
▸ MTOR P42345 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ZAP70 P43403 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39

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
SCHEMBL3042604 0.79 MAPT (0.52) ALDH1A1KDM4EHPGDMAPT
SCHEMBL5564075 0.74 CYP2C19 (0.54) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL30989601 0.73 KMO (0.51) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL5558780 0.71 CYP2C19 (0.45) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL5559741 0.71 MAPT (0.46) CYP2C19MTORALDH1A1AKT1MAPT
SCHEMBL28547042 0.70 KDM4E (0.44) CYP2C19ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL17308214 0.70 CYP2C19 (0.55) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL17310185 0.69 CYP2C19 (0.54) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL17310188 0.69 CYP2C19 (0.54) CYP2C19ERN1PDE10AMTORALDH1A1
SCHEMBL17306172 0.68 CYP2C19 (0.52) CYP2C19ERN1PDE10AMTORALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 — — EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 — — WO disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — 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 (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-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 CYP2C19 1164/4885ERN1 3580/4885PDE10A 722/4885

“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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