SCHEMBL13015573

SCHEMBL13015573

Cn1c(=O)n(COCC[Si](C)(C)C)c2cccc(CN3CCOCC3)c21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.39
▸ USP2 O75604 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2A13 Q16696 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HSD17B10 Q99714 2/20 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
SCHEMBL13015494 0.83 DPP4 (0.38) ALDH1A1TSHRTP53MAPTSMN1; SMN2
SCHEMBL13015575 0.82 NPC1 (0.44) ALDH1A1TSHRMAPK1GAAMAPT
SCHEMBL13015574 0.77 NPC1 (0.37) ALDH1A1TSHRNPC1
SCHEMBL31276238 0.77 NPC1 (0.43) ALDH1A1TSHRGAAMAPTHTT
SCHEMBL13015496 0.77 NPC1 (0.41) ALDH1A1TSHRMAPK1GAAMAPT
SCHEMBL29502401 0.77 NPC1 (0.41) ALDH1A1TSHRMAPK1GAAMAPT
SCHEMBL25340473 0.74 DPP4 (0.39) ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL25336928 0.74 NPC1 (0.37) ALDH1A1TSHRGAASMN1; SMN2BRD4
SCHEMBL31211967 0.73 NPC1 (0.48) ALDH1A1TSHRGAASMN1; SMN2NPC1
SCHEMBL30543644 0.73 JAK2 (0.38) NPC1

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 3 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

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 ALDH1A1 3404/4885USP2 3574/4885TSHR 2751/4885

“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.

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