SCHEMBL2826517

SCHEMBL2826517

Cc1nc(C(=O)O)c(Nc2ccn(C)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 4/20 0.39
HCK P08631 1/20 0.37
BTK Q06187 1/20 0.37
NTRK1 P04629 3/20 0.37
RAF1 P04049 1/20 0.37
MAPK1 P28482 2/20 0.36
PIK3CA P42336 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
NOTUM Q6P988 1/20 0.36
SYK P43405 1/20 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
SCHEMBL26851677 0.88 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2829641 0.78 NTRK1 (0.44) KDM4ELMNAGRM5NTRK1SYK
SCHEMBL5198047 0.75 GRM5 (0.64) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2826494 0.74 ALDH1A1 (0.49) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2826711 0.74 LMNA (0.41) RAB9AALDH1A1LMNASMN1; SMN2GRM5
SCHEMBL4900489 0.74 GRM5 (0.44) NPC1RAB9AKDM4EALDH1A1LMNA
SCHEMBL2832103 0.73 SMN1; SMN2 (0.46) KDM4EHTTSMN1; SMN2GRM5NTRK1
SCHEMBL2828850 0.73 JAK2 (0.51) NPC1RAB9ASMN1; SMN2GRM5MAPK1
SCHEMBL2829922 0.73 GRM5 (0.46) RAB9AGRM5BTKNTRK1
SCHEMBL2825794 0.73 PTK2 (0.42) ALDH1A1HTTSMN1; SMN2GRM5SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 NPC1 2568/4885RAB9A 3231/4885KDM4E 1059/4885

“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.