SCHEMBL23579642

SCHEMBL23579642

Nc1cc(-c2ccccc2)c2ncn(CC(F)(F)F)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 4/20 0.49
▸ CYP1A2 P05177 1/20 0.44
▸ MET P08581 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ ADORA2A P29274 2/20 0.32
▸ CDC7 O00311 1/20 0.32
▸ EGLN3 Q9H6Z9 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32

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
SCHEMBL3922194 0.81 LMNA (0.56) CYP1A2LMNAPDE4APDE4BPDE4C
SCHEMBL23579932 0.79 MEN1 (0.42) CYP17A1CYP1A2CNR1ADORA2APTGDR2
SCHEMBL29689791 0.79 LMNA (0.40) CYP1A2LMNADPP4BRD4ADORA2A
SCHEMBL29382308 0.79 CYP1A2 (0.44) CYP1A2LMNADPP4BRD4ADORA2A
SCHEMBL23607656 0.79 CYP1A2 (0.44) CYP1A2LMNADPP4BRD4ADORA2A
SCHEMBL23607244 0.75 CYP17A1 (0.39) CYP17A1CYP1A2
SCHEMBL23579933 0.75 DPP4 (0.54) CYP1A2DPP4TEK
SCHEMBL23607245 0.71 CYP17A1 (0.37) CYP17A1CYP1A2METAP2
SCHEMBL903225 0.69 CYP17A1 (0.70) CYP17A1CYP1A2CNR1
SCHEMBL899348 0.66 CYP17A1 (1.00) CYP17A1CYP1A2METAP2ADORA2API4KA

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
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US disclosed
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US disclosed
US-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2022-02-10 — — US disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 — — WO disclosed
WO-2021133957-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS ONKURE, INC. (US) 2021-07-01 — — 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 (2 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-20220041584-A1 BENZIMIDAZOLE COMPOUNDS AS HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 CYP17A1 2453/4885CYP1A2 1128/4885MET 4715/4885
US-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 CYP17A1 2453/4885CYP1A2 1128/4885MET 4715/4885

“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.

Send feedback