SCHEMBL13015486

SCHEMBL13015486

CC(C)Oc1cccc2[nH]c(=O)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
LMNA P02545 1/20 0.41
DAO P14920 2/20 0.41
POLB P06746 1/20 0.38
PSMB8 P28062 1/20 0.37
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
DPP4 P27487 1/20 0.36
BRPF1 P55201 2/20 0.36
BRD4 O60885 1/20 0.36
OPRM1 P35372 1/20 0.36
PDE5A O76074 1/20 0.36

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
SCHEMBL13015476 0.82 CYP19A1 (0.47) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL13015485 0.78 DAO (0.48) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL28738068 0.78 LMNA (0.45) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL25817348 0.76 ADORA3 (0.46) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL15128187 0.74 MAPT (0.47) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL30128499 0.74 ADORA3 (0.39) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL30225507 0.74 MAPT (0.47) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL21759900 0.74 ADORA3 (0.39) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL14216300 0.74 ADORA3 (0.39) ADORA3ADORA2BADORA2AADORA1LMNA
SCHEMBL11234999 0.74 ADRA2A (0.43) ADORA3ADORA2BADORA2AADORA1LMNA

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 3997/4885ADORA2B 4410/4885ADORA2A 3870/4885

“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.