SCHEMBL20600158

SCHEMBL20600158

O=C(O)C(=CNc1ccncc1Br)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.40
▸ CDK8 P49336 2/20 0.40
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ KDM4C Q9H3R0 3/20 0.36
▸ IMPDH2 P12268 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ MITF O75030 1/20 0.32

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
SCHEMBL20621865 0.79 DHODH (0.56) KMT2AMAPT
SCHEMBL29454721 0.79 DHODH (0.56) KMT2AMAPT
SCHEMBL4831443 0.74 BCHE (0.46) CCNCCDK8BCHEACHEKDM4C
SCHEMBL30824201 0.72 MDM2 (0.47) BCHEPOLBKMT2AL3MBTL1SMN1; SMN2
SCHEMBL27713387 0.71 CA12 (0.39) CCNCCDK8BCHEACHEKDM4C
SCHEMBL20599878 0.71 MEN1 (0.39) KMT2AMAPTSMN1; SMN2
SCHEMBL10277361 0.70 GAA (0.58) KMT2AL3MBTL1TP53MAPT
SCHEMBL30824242 0.70 GAA (0.58) KMT2AL3MBTL1TP53MAPT
SCHEMBL20599776 0.70 GSK3B (0.39) KDM4CKMT2AMAPT
SCHEMBL16305298 0.69 CA1 (0.46) CCNCCDK8BCHEACHEKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12448391-B2 Bicyclic derivatives for treating endoparasites ELANCO TIERGESUNDHEIT AG (CH) 2025-10-21 — — US disclosed
US-20240360116-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (SZ) 2024-10-31 — — US disclosed
EP-3615527-B1 NEW AZAQUINOLINE DERIVATIVES ELANCO ANIMAL HEALTH GMBH (DE) 2024-03-06 — — EP disclosed
EP-4255911-A1 BICYCLIC DERIVATIVES Elanco Tiergesundheit AG (CH) 2023-10-11 — — EP disclosed
US-11485733-B2 Azaquinoline derivatives BAYER ANIMAL HEALTH GMBH (DE) 2022-11-01 — — US disclosed
US-20220242857-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2022-08-04 — — US disclosed
WO-2022117783-A1 BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG (CH) 2022-06-09 — — WO disclosed
EP-3980414-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES Elanco Tiergesundheit AG (CH) 2022-04-13 — — EP disclosed
US-20200385398-A1 NEW BICYCLIC DERIVATIVES ELANCO TIERGESUNDHEIT AG 2020-12-10 — — US disclosed
WO-2020247747-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES ELANCO TIERGESUNDHEIT AG (CH) 2020-12-10 — — WO disclosed
US-20200131175-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2020-04-30 — — US disclosed
EP-3615527-A1 NEW AZAQUINOLINE DERIVATIVES Bayer Animal Health GmbH (DE) 2020-03-04 — — EP disclosed
WO-2019002132-A1 NEW AZAQUINOLINE DERIVATIVES BAYER ANIMAL HEALTH GMBH (DE) 2019-01-03 — — WO 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 (6 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 CCNC 707/4885CDK8 1717/4885BCHE 458/4885
US-12448391-B2 Bicyclic derivatives for treating endoparasites TBXA2R, PIGS, CYCS CCNC 2033/4885CDK8 2893/4885BCHE 140/4885
US-20240360116-A1 BICYCLIC DERIVATIVES FABP3, CYCS, TNNI3 CCNC 1025/4885CDK8 2589/4885BCHE 271/4885
US-20220242857-A1 BICYCLIC DERIVATIVES FOR TREATING ENDOPARASITES TBXA2R, PIGS, CYCS CCNC 2033/4885CDK8 2893/4885BCHE 140/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 CCNC 893/4885CDK8 2078/4885BCHE 469/4885
US-20200385398-A1 NEW BICYCLIC DERIVATIVES CYCS, FABP3, TNNI3 CCNC 948/4885CDK8 2375/4885BCHE 340/4885

“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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