SCHEMBL21875804

SCHEMBL21875804

CN(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cccc(Cl)c3Cl)cnnc12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.39
▸ CREBBP Q92793 2/20 0.39
▸ P2RX7 Q99572 4/20 0.38
▸ TAS1R3 Q7RTX0 5/20 0.37
▸ TAS1R1 Q7RTX1 5/20 0.37
▸ TAS1R2 Q8TE23 5/20 0.37
▸ TRPV1 Q8NER1 1/20 0.35
▸ MAPK1 P28482 5/20 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
SCHEMBL30824229 0.90 P2RX7 (0.41) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL20600149 0.90 P2RX7 (0.41) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL20621847 0.90 P2RX7 (0.41) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL29438299 0.90 P2RX7 (0.40) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL20600369 0.90 P2RX7 (0.40) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL20600344 0.87 BRD4 (0.39) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL29438283 0.87 BRD4 (0.39) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL29965032 0.87 BRD4 (0.40) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL21875778 0.87 BRD4 (0.40) BRD4CREBBPP2RX7TAS1R3TAS1R1
SCHEMBL21875835 0.86 BRD4 (0.37) BRD4CREBBPP2RX7TRPV1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 — — EP disclosed
CN-110770227-B Novel azaquinoline derivatives 拜耳动物保健有限责任公司 2024-03-01 — — CN disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US 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 BRD4 935/4885CREBBP 4608/4885P2RX7 97/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 BRD4 1125/4885CREBBP 4727/4885P2RX7 72/4885

“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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