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SCHEMBL6489955

SCHEMBL6489955

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2)c2nc3ccccc3c(N(C)c3cccs3)c2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 2/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 7/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ NCOA2 Q15596 2/20 0.37
▸ NCOA1 Q15788 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ GLA P06280 1/20 0.37

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
SCHEMBL939938 0.89 KMT2A (0.37) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL6481975 0.85 MEN1 (0.33) ADORA3MAPTALDH1A1KDM4EKMT2A
SCHEMBL6489832 0.83 ADORA3 (0.49) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL5462036 0.78 KMT2A (0.48) ADORA3ADORA2AADORA1RAB9AMAPT
SCHEMBL5460979 0.73 ADORA3 (0.46) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL3529455 0.73 KDM4E (0.42) ADORA2AADORA1HTTMAPTALDH1A1
SCHEMBL940801 0.73 ADORA2A (0.42) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL2011626 0.73 ADORA2A (0.42) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL5462040 0.72 ADORA3 (0.42) ADORA3ADORA2AADORA1RAB9AHTT
SCHEMBL940176 0.72 ALDH1A1 (0.37) ADORA3ADORA2AADORA1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390349-B1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SA (FR) 2012-07-25 — — EP disclosed
US-6969723-B2 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI - AVENTIS (FR) 2005-11-29 — — US disclosed
US-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands SANOFI (FR) 2004-09-23 — — US disclosed
EP-1390349-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2004-02-25 — — EP disclosed
WO-2002096879-A9 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI SYNTHELABO (FR) 2003-11-20 — — WO disclosed
WO-2002096879-A1 AMINOQUINOLINE AND AMINOPYRIDINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-SYNTHELABO (FR) 2002-12-05 — — 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 (1 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-20040186133-A1 Aminoquinoline and aminopyridine derivatives and their use as adenosine a3 ligands ADORA3, ADORA1, ADORA2A ADORA3 1/4885ADORA2A 3/4885ADORA1 2/4885

“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.