SCHEMBL5558780

SCHEMBL5558780

COc1cnc(N2CCOCC2)cc1NC(N)=S

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ PDE10A Q9Y233 2/20 0.43
▸ MTOR P42345 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ MAP4K1 Q92918 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PIK3CA P42336 2/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ EHMT1 Q9H9B1 1/20 0.40
▸ ADORA2A P29274 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
SCHEMBL5559730 0.80 GAA (0.59) CYP2C19ALDH1A1SMN1; SMN2GAA
SCHEMBL3042603 0.78 ALDH1A1 (0.54) ALDH1A1HTTPOLBHPGDSMN1; SMN2
SCHEMBL5564075 0.76 CYP2C19 (0.54) CYP2C19ALDH1A1PDE10AMTORHTT
SCHEMBL5559741 0.73 MAPT (0.46) CYP2C19ALDH1A1MTORSMN1; SMN2AKT1
SCHEMBL17308214 0.72 CYP2C19 (0.55) CYP2C19ALDH1A1PDE10AMTORHTT
SCHEMBL5558787 0.71 CYP2C19 (0.43) CYP2C19ALDH1A1PDE10AMTORERN1
SCHEMBL5523949 0.71 MAPT (0.58) CYP2C19ALDH1A1HTTSMN1; SMN2GAA
SCHEMBL17310188 0.71 CYP2C19 (0.54) CYP2C19ALDH1A1PDE10AMTORHTT
SCHEMBL17310185 0.71 CYP2C19 (0.54) CYP2C19ALDH1A1PDE10AMTORHTT
SCHEMBL9424508 0.70 KMT2A (0.53) ALDH1A1HTTPOLBHPGDSMN1; SMN2

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-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 — — US disclosed
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
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 — — US 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 1164/4885ALDH1A1 133/4885PDE10A 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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