SCHEMBL21875792

SCHEMBL21875792

COc1cnc(-c2cccc(Cl)c2Cl)c2ncc(C(=O)N[C@H]3CCOc4ccccc43)c(N(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 3/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ TAS1R3 Q7RTX0 5/20 0.35
▸ TAS1R1 Q7RTX1 5/20 0.35
▸ TAS1R2 Q8TE23 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ SPTLC2 O15270 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
SCHEMBL29438263 1.00 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL29965116 1.00 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL29438324 0.90 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL20621846 0.90 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL29965797 0.90 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL21875753 0.90 P2RX7 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL21875749 0.88 BRD4 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL29964996 0.88 BRD4 (0.37) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL20621845 0.87 LMNA (0.39) P2RX7BRD4CREBBPMAPK1TAS1R3
SCHEMBL21875809 0.87 LMNA (0.39) P2RX7BRD4CREBBPMAPK1TAS1R3

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 P2RX7 97/4885BRD4 935/4885CREBBP 4608/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 P2RX7 72/4885BRD4 1125/4885CREBBP 4727/4885

“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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