SCHEMBL3922194

SCHEMBL3922194

Nc1cc(-c2ccccc2)c2ncn(Cc3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ BRD4 O60885 1/20 0.49
▸ ADORA2A P29274 2/20 0.48
▸ PI4KA P42356 1/20 0.48
▸ PI4K2B Q8TCG2 1/20 0.48
▸ PI4K2A Q9BTU6 1/20 0.48
▸ PI4KB Q9UBF8 1/20 0.48
▸ CYP11B1 P15538 3/20 0.48
▸ CYP11B2 P19099 3/20 0.48
▸ TNF P01375 1/20 0.48
▸ EGLN3 Q9H6Z9 1/20 0.46
▸ PNP P00491 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL29689791 0.81 LMNA (0.40) LMNABRD4ADORA2API4KAPI4K2B
SCHEMBL23607656 0.81 CYP1A2 (0.44) LMNABRD4ADORA2AALDH1A1CYP1A2
SCHEMBL29382308 0.81 CYP1A2 (0.44) LMNABRD4ADORA2AALDH1A1CYP1A2
SCHEMBL23579642 0.81 CYP17A1 (0.49) LMNABRD4ADORA2API4KAPI4K2B
SCHEMBL3922575 0.80 LMNA (0.50) LMNABRD4ADORA2ACYP11B1CYP11B2
SCHEMBL4296902 0.79 MEN1 (0.59) LMNAADORA2ACYP11B1CYP11B2TNF
SCHEMBL24444297 0.77 EGLN3 (0.46) LMNABRD4CYP11B1CYP11B2TNF
SCHEMBL23579933 0.77 DPP4 (0.54) CYP1A2KMT2A
SCHEMBL23579969 0.74 CYP11B1 (0.42) LMNAADORA2ACYP11B1CYP11B2EGLN3
SCHEMBL3767345 0.74 CYP11B1 (0.66) LMNABRD4CYP11B1CYP11B2TNF

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 6 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
EP-2041118-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2009-04-01 — — EP disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
WO-2007114827-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-10-11 — — WO disclosed
US-20060247263-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-11-02 — — 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 (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-11339150-B2 Benzimidazole compounds as HDAC6 inhibitors HDAC6, HDAC1, HDAC11 LMNA 1225/4885BRD4 39/4885ADORA2A 4110/4885
US-20060247263-A1 Substituted heterocyclic compounds and methods of use MAPT, IAPP, MYLK2 LMNA 3794/4885BRD4 1496/4885ADORA2A 169/4885

“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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