SCHEMBL21595522

SCHEMBL21595522

O=C(Nc1ccccc1F)c1cnccn1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.74
▸ HDAC1 Q13547 1/20 0.74
▸ HDAC2 Q92769 1/20 0.74
▸ HDAC8 Q9BY41 1/20 0.74
▸ HDAC6 Q9UBN7 1/20 0.74
▸ MCL1 Q07820 1/20 0.71
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ ALOX15 P16050 2/20 0.66
▸ TSHR P16473 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ NPC1 O15118 4/20 0.63
▸ LMNA P02545 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ RAB9A P51151 4/20 0.59
▸ CYP1A2 P05177 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56

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
SCHEMBL30763162 1.00 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL31734120 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18064956 0.85 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5285570 0.84 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30763136 0.84 HDAC3 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL18064949 0.83 MCL1 (0.73) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4763131 0.82 HTT (0.62) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL21595563 0.82 KMT2A (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL14825158 0.82 MCL1 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28270381 0.82 MCL1 (0.71) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810597-B1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS UNIV OSLO HF (NO) 2025-11-26 — — EP disclosed
US-11926614-B2 1,2,4-triazole derivatives as tankyrase inhibitors OSLO UNIVERSITETSSYKEHUS HF (NO) 2024-03-12 — — US disclosed
CN-112469714-B 1,2, 4-triazole derivatives as tankyrase inhibitors 奥斯陆大学国家医院 2024-03-01 — — CN disclosed
EP-3810597-A1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS Oslo Universitetssykehus HF (NO) 2021-04-28 — — EP disclosed
WO-2019243822-A1 1,2,4-TRIAZOLE DERIVATIVES AS TANKYRASE INHIBITORS OSLO UNIVERSITETSSYKEHUS HF (NO) 2019-12-26 — — 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-11926614-B2 1,2,4-triazole derivatives as tankyrase inhibitors GBA3, CBR3, TECR HDAC3 1635/4885HDAC1 2788/4885HDAC2 3026/4885

“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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