SCHEMBL21875782

SCHEMBL21875782

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)ncc(F)c2c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.37
▸ CNR2 P34972 6/20 0.37
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ P2RX7 Q99572 4/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ BRD4 O60885 2/20 0.34
▸ CREBBP Q92793 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL29964859 1.00 WDR5 (0.37) WDR5CNR2TP53THRBP2RX7
SCHEMBL29438304 1.00 WDR5 (0.37) WDR5CNR2TP53THRBP2RX7
SCHEMBL29438303 0.89 LMNA (0.39) WDR5CNR2TP53P2RX7CNR1
SCHEMBL29965418 0.89 LMNA (0.39) WDR5CNR2TP53P2RX7CNR1
SCHEMBL21875809 0.89 LMNA (0.39) WDR5CNR2TP53P2RX7CNR1
SCHEMBL20621845 0.89 LMNA (0.39) WDR5CNR2TP53P2RX7CNR1
SCHEMBL21922514 0.88 P2RX7 (0.37) WDR5CNR2TP53THRBP2RX7
SCHEMBL29965264 0.88 P2RX7 (0.37) WDR5CNR2TP53THRBP2RX7
SCHEMBL21875798 0.87 P2RX7 (0.38) CNR2TP53P2RX7MEN1KMT2A
SCHEMBL20621805 0.87 P2RX7 (0.38) CNR2TP53P2RX7MEN1KMT2A

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 WDR5 1541/4885CNR2 657/4885TP53 2692/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 WDR5 1623/4885CNR2 804/4885TP53 2505/4885

“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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