SCHEMBL2829269

SCHEMBL2829269

O=C(O)c1ncsc1Nc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CSF1R P07333 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
THPO P40225 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
MAPK8 P45983 1/20 0.34
LMNA P02545 1/20 0.34
PMP22 Q01453 1/20 0.34
CES2 O00748 1/20 0.34
BCHE P06276 1/20 0.34
CES1 P23141 1/20 0.34
ASPH Q12797 1/20 0.34
KDM8 Q8N371 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL2826260 0.88 KDM4E (0.55) KDM4ENPC1RAB9AP4HTMMAPK8
SCHEMBL2825731 0.84 KDM4E (0.45) KDM4ENPC1RAB9ACYP1A2CYP3A4
SCHEMBL2825838 0.81 BRD4 (0.43) KDM4ENPC1RAB9ATP53CYP1A2
SCHEMBL2828164 0.77 CSNK2A1 (0.45) CSNK2A1KDM4ENPC1RAB9ACSF1R
SCHEMBL2828775 0.77 KDM4E (0.47) KDM4ENPC1RAB9ATP53LMNA
SCHEMBL2828889 0.77 KDM4E (0.47) CSNK2A1KDM4ENPC1RAB9ATP53
SCHEMBL4902010 0.75 MEN1 (0.50) KDM4ENPC1RAB9ATP53LMNA
SCHEMBL2825916 0.74 CSNK2A1 (0.50) CSNK2A1KDM4ENPC1RAB9ATP53
SCHEMBL2828019 0.74 SLC13A5 (0.40) KDM4ENPC1RAB9ACYP3A4
SCHEMBL13398609 0.74 KDM4E (0.55) KDM4ECYP1A2CYP3A4THPOLMNA

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 CSNK2A1 568/4885KDM4E 1059/4885NPC1 2568/4885

“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.