SCHEMBL2826439

SCHEMBL2826439

COC(=O)c1nc(C)sc1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PKM P14618 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RCE1 Q9Y256 1/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
TP53 P04637 1/20 0.37
GRM6 O15303 1/20 0.37
GRM5 P41594 1/20 0.37

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
SCHEMBL1194383 0.81 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL15872816 0.81 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL16417686 0.80 NPSR1 (0.54) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30862551 0.79 NPSR1 (0.48) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL12661719 0.78 PDPK1 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2829075 0.78 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HPGDCYP1A2
SCHEMBL7454034 0.77 ALDH1A1 (0.37) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL2829789 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL275767 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL12228844 0.77 NPSR1 (0.50) NPSR1KDM4EALDH1A1SMN1; SMN2HPGD

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
WO-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
EP-3523305-B1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-17 US disclosed
US-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL MYERS SQUIBB CO (US) 2019-07-25 US disclosed
WO-2018067432-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-12 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 (3 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-20190225620-A1 IMIDAZOPYRIDAZINE COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES TYK2, IL2, IFNAR1 NPSR1 3910/4885KDM4E 2621/4885ALDH1A1 3821/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 NPSR1 173/4885KDM4E 1059/4885ALDH1A1 913/4885
US-10836770-B2 Imidazopyridazine compounds useful as modulators of IL-12, IL-23 and/or INF alpha responses TYK2, IL2, IFNAR1 NPSR1 3830/4885KDM4E 3599/4885ALDH1A1 3818/4885

“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.