SCHEMBL21875831

SCHEMBL21875831

O=C(N[C@H]1CCOc2ccccc21)c1cnc2c(-c3cc(F)cc(F)c3F)nccc2c1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 5/20 0.35
▸ TP53 P04637 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ GPR52 Q9Y2T5 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ STAT6 P42226 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
SCHEMBL29438269 1.00 MEN1 (0.40) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL29964912 1.00 MEN1 (0.40) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL23505810 0.90 MEN1 (0.41) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL23505823 0.90 MEN1 (0.41) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL29964758 0.89 MEN1 (0.40) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL21875814 0.89 MEN1 (0.40) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL29438292 0.89 MEN1 (0.40) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL21875781 0.86 MEN1 (0.41) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL29964743 0.86 MEN1 (0.41) MEN1KMT2ACNR1CNR2ALDH1A1
SCHEMBL22138866 0.86 MAPK1 (0.38) MAPK1P2RX7TRPV1

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 MEN1 431/4885KMT2A 253/4885CNR1 575/4885
US-11485733-B2 Azaquinoline derivatives RECQL, H1-5, H1-3 MEN1 175/4885KMT2A 309/4885CNR1 637/4885

“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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