SCHEMBL13466369

SCHEMBL13466369

COCCOC1CN(Cc2ccc(C(C)C)cn2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.35
▸ WDR77 Q9BQA1 2/20 0.35
▸ TLR7 Q9NYK1 1/20 0.33
▸ ACACB O00763 1/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ USP1 O94782 2/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL13466414 0.85 CD274 (0.39) PRMT5WDR77ACACBKCNH2PDE9A
SCHEMBL16132002 0.83 RET (0.38) TLR7HRH3KCNH2PDE9AAXL
SCHEMBL16131135 0.75 PLA2G1B (0.33) ACACBKDM4ETDP1USP1LMNA
SCHEMBL13466383 0.75 PLA2G1B (0.43) ACACBHRH3KDM4ETDP1USP1
SCHEMBL13466409 0.72 HRH3 (0.48) PRMT5WDR77HRH3KCNH2MEN1
SCHEMBL12880866 0.72 HRH3 (0.51) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL20804006 0.72 IDH1 (0.38) PRMT5WDR77HRH3ALDH1A1LMNA
SCHEMBL20332789 0.72 L3MBTL1 (0.39) PDE9AMEN1KMT2AL3MBTL1LMNA
SCHEMBL12880864 0.71 HRH3 (0.53) PRMT5WDR77HRH3MEN1KMT2A
SCHEMBL26169223 0.71 ESR1 (0.37) L3MBTL1NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 — — US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 — — 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 (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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 PRMT5 2645/4885WDR77 2392/4885TLR7 2806/4885

“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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