SCHEMBL17572863

SCHEMBL17572863

Cc1nc2c(C(=O)O)cccc2n1C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.42
▸ CREBBP Q92793 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PIK3C2B O00750 7/20 0.41
▸ LMNA P02545 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ AADAT Q8N5Z0 1/20 0.39
▸ PIK3CB P42338 4/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL17572862 0.87 PIK3CB (0.48) BRD4CREBBPLMNAPIK3CB
SCHEMBL10219470 0.73 CYP2D6 (0.54) LMNAUSP2PKMPIK3CBPIK3CD
SCHEMBL2687048 0.72 L3MBTL1 (0.77) L3MBTL1LMNAUSP2PKM
SCHEMBL17573036 0.72 BRD4 (0.37) BRD4CREBBP
SCHEMBL6922941 0.72 PARP1 (0.46) —
Hydrochloric Acid SCHEMBL2687882 0.72 L3MBTL1 (0.76) L3MBTL1LMNAUSP2PKM
SCHEMBL30437463 0.71 ALDH1A1 (0.44) —
SCHEMBL31037909 0.70 PARP1 (0.39) —
SCHEMBL6786352 0.70 CYP3A4 (0.41) L3MBTL1
SCHEMBL30497300 0.69 PDE4B (0.52) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 — — US disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 — — US disclosed
WO-2021126999-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 — — EP disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 — — US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 — — US disclosed
US-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY. LTD. (AU) 2017-10-19 — — US disclosed
WO-2016034673-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2016-03-10 — — 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-20170298075-A1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS PRMT5, PRMT1, PRMT3 BRD4 16/4885CREBBP 1140/4885L3MBTL1 1013/4885

“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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