SCHEMBL21875776

SCHEMBL21875776

COc1ncc2c(N(C)C)c(C(=O)N[C@H]3CCOc4ccccc43)cnc2c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 14/20 0.46
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ TRPV1 Q8NER1 1/20 0.34
▸ P2RX7 Q99572 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
SCHEMBL29964199 1.00 MAPK1 (0.46) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL29438284 1.00 MAPK1 (0.46) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL29965397 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL29438267 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL21875820 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL21875803 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL29965218 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL29438346 0.87 MAPK1 (0.42) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL21061461 0.87 P2RX7 (0.38) MAPK1BRD4CREBBPTRPV1P2RX7
SCHEMBL21101253 0.87 P2RX7 (0.38) MAPK1BRD4CREBBPTRPV1P2RX7

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 4124/4885BRD4 935/4885CREBBP 4608/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 MAPK1 4432/4885BRD4 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.

Send feedback