SCHEMBL20946455

SCHEMBL20946455

Cc1noc(C)c1-c1cccc(CN)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.57
▸ BRD2 P25440 7/20 0.57
▸ CREBBP Q92793 3/20 0.57
▸ FFAR1 O14842 5/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ BRD3 Q15059 3/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL5217255 0.88 BRD4 (0.55) BRD4BRD2CREBBPFFAR1MAP4K4
SCHEMBL28047388 0.84 BRD4 (0.57) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL16675743 0.84 BRD4 (0.58) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL25975868 0.83 BRD4 (0.59) BRD4BRD2CREBBPBRD3
SCHEMBL12881340 0.83 BRD4 (0.59) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL12866840 0.82 BRD4 (0.57) BRD4BRD2CREBBPFFAR1MAP4K4
SCHEMBL3340053 0.80 BRD4 (0.52) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL22775611 0.80 BRD4 (0.60) BRD4BRD2CREBBPFFAR1BRD3
SCHEMBL3338755 0.80 HTR7 (0.62) BRD4BRD2CREBBPFFAR1
SCHEMBL980536 0.79 MAP4K4 (0.76) BRD4BRD2CREBBPMAP4K4BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452477-B1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B C I PHARMA (BE) 2023-09-13 — — EP disclosed
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 — — US disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 — — US disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 — — US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 — — US disclosed
US-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2020-10-01 — — US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 — — 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 (4 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-20200308122-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, SSTR5, FFAR3 BRD4 3197/4885BRD2 3694/4885CREBBP 3270/4885
US-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 BRD4 1322/4885BRD2 2999/4885CREBBP 1092/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 BRD4 1322/4885BRD2 2999/4885CREBBP 1092/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 BRD4 3425/4885BRD2 3903/4885CREBBP 3582/4885

“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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