SCHEMBL17092727

SCHEMBL17092727

Cn1c(C(=O)O)cc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.47
▸ P2RY14 Q15391 1/20 0.47
▸ USP30 Q70CQ3 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HPGD P15428 4/20 0.45
▸ HSD17B10 Q99714 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ MCL1 Q07820 2/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL17109202 0.87 TP53 (0.46) NAMPTUSP30KDM4EMAPTTHRB
SCHEMBL17690480 0.84 NAMPT (0.46) NAMPTP2RY14KDM4EMAPTTHRB
SCHEMBL23411339 0.82 KDM4E (0.52) NAMPTP2RY14KDM4EMAPTTHRB
SCHEMBL23411311 0.81 NAMPT (0.49) NAMPTP2RY14KDM4EMAPTTHRB
SCHEMBL29891481 0.81 NAMPT (0.49) NAMPTP2RY14KDM4EMAPTTHRB
SCHEMBL20321048 0.81 NR1H2 (0.39) NAMPTP2RY14PDE4BGPR119
SCHEMBL23211951 0.79 GPR119 (0.51) NAMPTKDM4EMAPTTHRBHPGD
SCHEMBL30149799 0.79 GPR119 (0.51) NAMPTKDM4EMAPTTHRBHPGD
SCHEMBL17109208 0.79 PDE4B (0.46) NAMPTP2RY14KDM4EMAPTTHRB
SCHEMBL14635623 0.78 NAMPT (0.58) NAMPTP2RY14KDM4EMAPTTHRB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ASTELLAS PHARMA INC. (JP) 2017-12-21 — — US disclosed
EP-3009424-B1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2017-12-20 — — EP disclosed
EP-3231425-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE COMPONENT Astellas Pharma Inc. (JP) 2017-10-18 — — EP disclosed
EP-3231424-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE COMPONENT Astellas Pharma Inc. (JP) 2017-10-18 — — EP disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
US-9428501-B2 Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC. (JP) 2016-08-30 — — US disclosed
EP-3009424-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 — — EP disclosed
CN-105308024-A Bicyclic nitrogen-containing aromatic heterocyclic amide compound ASTELLAS PHARMA INC 2016-02-03 — — CN disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — US disclosed
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-09-24 — — 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 (4 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-20170360779-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ACAD9, NDUFAF1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NAMPT 408/4885P2RY14 3306/4885USP30 3817/4885
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ACAD9, UQCRC1, UQCRC2 NAMPT 415/4885P2RY14 3138/4885USP30 3087/4885
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND PIK3CA, SLC16A3, MCTS1 NAMPT 182/4885P2RY14 1774/4885USP30 3562/4885
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT AK2, PRKAA1, ACAD9 NAMPT 309/4885P2RY14 1922/4885USP30 3614/4885

“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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