SCHEMBL13015491

SCHEMBL13015491

Cn1c(=O)[nH]c2cccc(C3CC3)c21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.42
YTHDF2 Q9Y5A9 1/20 0.42
ADRB2 P07550 2/20 0.42
OPRM1 P35372 2/20 0.41
DAO P14920 1/20 0.41
DRD1 P21728 1/20 0.40
HTR1A P08908 6/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
NR3C1 P04150 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 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
SCHEMBL31069545 0.94 ADRB2 (0.43) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL30392630 0.91 HTR2C (0.45) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL25336097 0.88 LMNA (0.44) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL31342372 0.85 ADRB2 (0.42) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL30392560 0.83 PARP1 (0.40) ADRB2OPRM1DRD2DRD3
SCHEMBL25339372 0.82 DAO (0.38) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL29751547 0.80 DUT (0.42) DRD1HTR1A
SCHEMBL8802407 0.79 THRB (0.48)
SCHEMBL25973566 0.79 ADRB2 (0.38) ADORA3ADORA2AADORA2BADORA1LMNA
SCHEMBL25339786 0.78 ADRB2 (0.39) ADORA3ADORA2AADORA2BADORA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-8476278-B2 Thiazole Derivatives as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 US disclosed
US-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors SCHERING CORPORATION 2010-12-30 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-20100331313-A1 Thiazole Derivatives as Protein Kinase Inhibitors DAPK2, DAPK1, JAK1 ADORA3 3997/4885ADORA2A 3870/4885ADORA2B 4410/4885

“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.