SCHEMBL21875785

SCHEMBL21875785

COc1cnc2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK9 P45984 3/20 0.36
▸ MAPK10 P53779 3/20 0.36
▸ FGFR3 P22607 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MAPK8 P45983 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DCLK1 O15075 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ EGFR P00533 1/20 0.36

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
SCHEMBL29964848 1.00 LMNA (0.39) LMNATP53MAPK9MAPK10FGFR3
SCHEMBL29965225 0.91 CNR2 (0.38) MAPK1BRD4CREBBPCNR2ALDH1A1
SCHEMBL21875796 0.91 CNR2 (0.38) MAPK1BRD4CREBBPCNR2ALDH1A1
SCHEMBL21922514 0.89 P2RX7 (0.37) TP53BRD4CREBBPCNR2ALDH1A1
SCHEMBL29965264 0.89 P2RX7 (0.37) TP53BRD4CREBBPCNR2ALDH1A1
SCHEMBL21875809 0.89 LMNA (0.39) LMNATP53MAPK9MAPK10FGFR3
SCHEMBL29438303 0.89 LMNA (0.39) LMNATP53MAPK9MAPK10FGFR3
SCHEMBL20621845 0.89 LMNA (0.39) LMNATP53MAPK9MAPK10FGFR3
SCHEMBL29965418 0.89 LMNA (0.39) LMNATP53MAPK9MAPK10FGFR3
SCHEMBL21875787 0.87 MAPK1 (0.41) LMNATP53MAPK1BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — US claimed
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP claimed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 — — CN claimed
WO-2020131629-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 — — WO claimed
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 — — EP disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US disclosed
US-20220064160-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (US) 2022-03-03 — — US disclosed
EP-3897843-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2021-10-27 — — EP disclosed
CN-113474044-A Bicyclic derivatives 瑞士伊兰科动物保健有限公司 2021-10-01 — — CN disclosed
WO-2020131629-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2020-06-25 — — WO disclosed
US-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-04-30 — — US disclosed
US-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-04-30 — — 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 (3 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-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES RECQL, H1-5, CHRM1 LMNA 1687/4885TP53 2692/4885MAPK9 4756/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 LMNA 1108/4885TP53 2505/4885MAPK9 4803/4885
US-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS LMNA 1947/4885TP53 4885/4885MAPK9 3531/4885

“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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