SCHEMBL3181981

SCHEMBL3181981

Cc1nc(Nc2ncc(-c3cccnc3)c3sc(C)nc23)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.41
GRM5 P41594 6/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2E1 P05181 2/20 0.38
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36
PTK2 Q05397 1/20 0.36
CYP19A1 P11511 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
BRAF P15056 2/20 0.35

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
SCHEMBL3193048 0.86 GRM5 (0.33) GRM5KDR
SCHEMBL3174769 0.84 GCK (0.47) GPR35CYP3A4CYP2E1CYP2A6CYP2C9
SCHEMBL3186011 0.83 CYP2A6 (0.36) GRM5CYP2A6
SCHEMBL3380124 0.83 CKS1B (0.42) GPR35GRM5CYP3A4CYP2E1CYP2A6
SCHEMBL3182625 0.83 TDO2 (0.35)
SCHEMBL3186655 0.83 GRM5 (0.47) GPR35GRM5CYP3A4CYP2E1CYP2A6
SCHEMBL3183423 0.83 PIK3C3 (0.35) NPC1RAB9ACYP19A1
SCHEMBL3175014 0.82 CCNK (0.41) GPR35GRM5CYP3A4CYP2E1CYP2A6
SCHEMBL3377500 0.82 GRM5 (0.41) GPR35GRM5CYP3A4CYP2E1CYP2A6
SCHEMBL3192916 0.82 PIK3CA (0.33) GRM5

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 GPR35 37/4885GRM5 1/4885CYP3A4 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.