SCHEMBL2832151

SCHEMBL2832151

CCOC(=O)c1ncsc1NCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
PDE4B Q07343 1/20 0.43
ALDH1A1 P00352 7/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ILK Q13418 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
SCHEMBL2832760 0.85 TSHR (0.43) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL2826267 0.82 SMN1; SMN2 (0.45) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL2825669 0.80 TSHR (0.44) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL2827898 0.80 HCAR3 (0.45) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL9295807 0.80 PDE5A (0.43) MEN1KMT2APDE4BALDH1A1TSHR
SCHEMBL1359449 0.79 TSHR (0.43) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL18467314 0.79 TSHR (0.43) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL2825763 0.78 PTGER4 (0.48) ALDH1A1TSHRLMNASMN1; SMN2MAPT
SCHEMBL16371512 0.78 TSHR (0.46) KMT2AALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL2827013 0.77 MEN1 (0.60) MEN1KMT2AALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-9988378-B2 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN-LA ROCHE INC. (CH) 2018-06-05 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
CN-104640850-A 3,4-disubstituted 1 H-pyrazole and 4,5-disubstituted thiazole inhibitors of SYK HOFFMANN LA ROCHE 2015-05-20 CN disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
WO-2014064134-A1 3,4-DISUBSTITUTED 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK F. HOFFMANN-LA ROCHE AG (CH) 2014-05-01 WO disclosed
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 (2 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 MEN1 2558/4885KMT2A 1012/4885ATM 4531/4885
US-20150266874-A1 1 H-PYRAZOLE AND 4,5-DISUBSTITUTED THIAZOLE INHIBITORS OF SYK SYK, BTK, IRAK4 MEN1 3071/4885KMT2A 896/4885ATM 811/4885

“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.