SCHEMBL21875787

SCHEMBL21875787

COc1ncc2c(N3CCOCC3)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.41
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CNR2 P34972 4/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ P2RX7 Q99572 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL29438302 1.00 MAPK1 (0.41) MAPK1TP53LMNAPKMCNR2
SCHEMBL29964976 1.00 MAPK1 (0.41) MAPK1TP53LMNAPKMCNR2
SCHEMBL29964954 0.88 MAPK1 (0.38) MAPK1TP53LMNAPKMCNR2
SCHEMBL21875761 0.88 MAPK1 (0.38) MAPK1TP53LMNAPKMCNR2
SCHEMBL29438330 0.88 MAPK1 (0.38) MAPK1TP53LMNAPKMCNR2
SCHEMBL21875801 0.88 MAPK1 (0.44) MAPK1TP53LMNAPKMCNR2
SCHEMBL29438327 0.88 MAPK1 (0.44) MAPK1TP53LMNAPKMCNR2
SCHEMBL29965551 0.88 MAPK1 (0.44) MAPK1TP53LMNAPKMCNR2
SCHEMBL21875785 0.87 LMNA (0.39) MAPK1TP53LMNACNR2CNR1
SCHEMBL29964848 0.87 LMNA (0.39) MAPK1TP53LMNACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES RECQL, H1-5, CHRM1 MAPK1 4124/4885TP53 2692/4885LMNA 1687/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 MAPK1 4432/4885TP53 2505/4885LMNA 1108/4885

“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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