SCHEMBL21922514

SCHEMBL21922514

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cccc(Cl)c3Cl)c(F)cnc2c1N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.37
▸ CNR2 P34972 7/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35

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
SCHEMBL29965264 1.00 P2RX7 (0.37) P2RX7CNR2WDR5MEN1KMT2A
SCHEMBL21875796 0.93 CNR2 (0.38) P2RX7CNR2KMT2ACNR1ALDH1A1
SCHEMBL29965225 0.93 CNR2 (0.38) P2RX7CNR2KMT2ACNR1ALDH1A1
SCHEMBL23505822 0.91 PKM (0.39) P2RX7CNR2WDR5MEN1KMT2A
SCHEMBL29964848 0.89 LMNA (0.39) P2RX7CNR2TP53CNR1ALDH1A1
SCHEMBL21875785 0.89 LMNA (0.39) P2RX7CNR2TP53CNR1ALDH1A1
SCHEMBL20621815 0.88 CNR2 (0.38) P2RX7CNR2WDR5
SCHEMBL21875782 0.88 WDR5 (0.37) P2RX7CNR2WDR5MEN1KMT2A
SCHEMBL29438304 0.88 WDR5 (0.37) P2RX7CNR2WDR5MEN1KMT2A
SCHEMBL29964859 0.88 WDR5 (0.37) P2RX7CNR2WDR5MEN1KMT2A

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
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-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

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 P2RX7 97/4885CNR2 657/4885WDR5 1541/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 P2RX7 72/4885CNR2 804/4885WDR5 1623/4885
US-20220064160-A1 BICYCLIC DERIVATIVES FABP3, CYCS, PIGS P2RX7 803/4885CNR2 878/4885WDR5 1997/4885

“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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