SCHEMBL23607243

SCHEMBL23607243

CN(c1cc(-c2ccccc2)c2nc[nH]c2c1)c1ncc(C#N)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.37
▸ DPP4 P27487 1/20 0.35
▸ CTSS P25774 3/20 0.34
▸ CTSK P43235 1/20 0.34
▸ MET P08581 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.34
▸ GRM5 P41594 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL23580751 0.77 HDAC6 (0.42) HDAC1HDAC6
SCHEMBL29384183 0.77 HDAC6 (0.42) HDAC1HDAC6
SCHEMBL23579745 0.75 CHEK1 (0.41) METAP2DPP4CTSSCTSKLRRK2
SCHEMBL3933161 0.70 DPP4 (0.34) DPP4METBRD4MEN1ALDH1A1
SCHEMBL14395973 0.68 BRD4 (0.33) DPP4BRD4
SCHEMBL7090036 0.65 DPP4 (0.51) DPP4BRD4CYP3A4MEN1ALDH1A1
SCHEMBL8889428 0.65 METAP2 (0.50) METAP2DPP4CTSSCTSKMET
SCHEMBL23580765 0.65 CHEK1 (0.38) LRRK2KDM1ACYP1A2CYP3A4CYP2C19
SCHEMBL23579646 0.65 DPP4 (0.44) DPP4BRD4CYP3A4MEN1ALDH1A1
SCHEMBL23579790 0.64 CTSS (0.36) METAP2CTSSCTSKMEN1ALDH1A1

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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors ONKURE, INC. (US) 2022-05-24 — — US 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 (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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 METAP2 3635/4885DPP4 3147/4885CTSS 860/4885

“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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