SCHEMBL3174769

SCHEMBL3174769

Cc1csc(Nc2ncc(-c3cccnc3)c3sc(C)nc23)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.47
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TRPV4 Q9HBA0 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
SCHEMBL3194004 0.87 GCK (0.36) GCKNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL3181981 0.84 GPR35 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL3379022 0.83 GCK (0.51) GCKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3182630 0.82 GCK (0.36) GCKNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL3378923 0.82 GCK (0.47) GCKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3183828 0.81 GCK (0.38) GCKNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL3191740 0.80 PIP4K2C (0.60) GCK
SCHEMBL3186655 0.78 GRM5 (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL3175014 0.77 CCNK (0.41) GCKCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL3262846 0.75 GRM5 (0.37)

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-7659401-B2 N-(2-methyl-7-pyridin-3-yl-thiazolo[4,5-c]pyridin-4-yl)-N-(2(4)-methyl-thiazol-4(2)-yl)-amine; metabotropic glutamate receptor antagonists; mGluR5 receptor mediated disorders; nervous system disorders; analgesics; incontinence; liver disorders; obesity; Fragile x syndrome; autism;Alzeimer's disease HOFFMANN-LA ROCHE INC. (US) 2010-02-09 US claimed
EP-1948667-A2 THIAZOLO[4,5-C]PYRIDINE DERIVATIVES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP claimed
WO-2007054436-A2 THIAZOLO [4 , 5-C] PYRIDINE DERIVATIVES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
US-20070105891-A1 Thiazole[4,5-C]pyridine derivatives HOFFMANN-LA ROCHE INC. 2007-05-10 US claimed
US-7659401-B2 N-(2-methyl-7-pyridin-3-yl-thiazolo[4,5-c]pyridin-4-yl)-N-(2(4)-methyl-thiazol-4(2)-yl)-amine; metabotropic glutamate receptor antagonists; mGluR5 receptor mediated disorders; nervous system disorders; analgesics; incontinence; liver disorders; obesity; Fragile x syndrome; autism;Alzeimer's disease HOFFMANN-LA ROCHE INC. (US) 2010-02-09 US disclosed
EP-1948667-A2 THIAZOLO[4,5-C]PYRIDINE DERIVATIVES AS MGLU5 RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-07-30 EP disclosed
WO-2007054436-A2 THIAZOLO [4 , 5-C] PYRIDINE DERIVATIVES AS MGLU5 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed
US-20070105891-A1 Thiazole[4,5-C]pyridine derivatives HOFFMANN-LA ROCHE INC. 2007-05-10 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-20070105891-A1 Thiazole[4,5-C]pyridine derivatives GRM5, GRIK5, GRM1 GCK 1274/4885CYP2E1 1911/4885CYP3A4 2184/4885

“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.