SCHEMBL13015482

SCHEMBL13015482

COc1c(C)ccc2[nH]c(=O)n(C)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
LMNA P02545 1/20 0.40
DAO P14920 1/20 0.39
CYP19A1 P11511 5/20 0.39
NQO2 P16083 4/20 0.39
DPP4 P27487 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
BRD4 O60885 2/20 0.37
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
PDE2A O00408 1/20 0.35
STING1 Q86WV6 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22972503 0.79 PDE3B (0.49) PDE3BPDE3ALMNADAODPP4
SCHEMBL29751529 0.76 CSNK2A2 (0.46) PDE3BPDE3ALMNADAODPP4
SCHEMBL24607337 0.76 CSNK2A2 (0.46) PDE3BPDE3ALMNADAODPP4
SCHEMBL21050770 0.76 PDE3B (0.43) PDE3BPDE3ALMNADAODPP4
SCHEMBL24854272 0.73 LMNA (0.40) PDE3BPDE3ALMNADAODPP4
SCHEMBL24854116 0.73 LMNA (0.40) PDE3BPDE3ALMNADAODPP4
SCHEMBL23832583 0.72 CSNK2A2 (0.42) PDE3BPDE3ALMNACYP19A1NQO2
SCHEMBL14992295 0.72 DAO (0.41) PDE3BPDE3ALMNADAOCYP19A1
SCHEMBL13015480 0.72 DAO (0.66) PDE3BPDE3ALMNADAODPP4
SCHEMBL13015476 0.71 CYP19A1 (0.47) PDE3BPDE3ALMNADAOCYP19A1

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 PDE3B 2993/4885PDE3A 3009/4885LMNA 3432/4885

“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.