SCHEMBL17109202

SCHEMBL17109202

CCOC(=O)c1cc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GPR119 Q8TDV5 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.43
▸ PDE4B Q07343 1/20 0.42
▸ GUCY1A1 Q02108 2/20 0.42
▸ GUCY1B1 Q02153 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ MAPT P10636 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
SCHEMBL17092727 0.87 NAMPT (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL21355575 0.85 MAOA (0.49) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL22031823 0.85 TNKS (0.50) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL10003307 0.83 NOD2 (0.55) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL18127379 0.83 NOD2 (0.42) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL17690480 0.80 NAMPT (0.46) KDM4EGPR119NAMPTPDE4BTHRB
SCHEMBL8040438 0.79 NAMPT (0.54) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL15642824 0.78 RAB9A (0.51) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL27879717 0.78 GPR119 (0.38) TP53POLBALDH1A1LMNASMN1; SMN2
SCHEMBL23411339 0.78 KDM4E (0.52) KDM4EGPR119NAMPTPDE4BTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-3231426-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETROCYCLIC AMIDE COMPOUNDS AS ACTIVE INGREDIENT Astellas Pharma Inc. (JP) 2017-10-18 — — 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
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
EP-3231426-A1 PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETROCYCLIC AMIDE COMPOUNDS AS ACTIVE INGREDIENT 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-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 TP53 373/4885POLB 720/4885ALDH1A1 1979/4885
US-20170360780-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT ACAD9, UQCRC1, UQCRC2 TP53 1207/4885POLB 820/4885ALDH1A1 1589/4885
US-20150266869-A1 BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND PIK3CA, SLC16A3, MCTS1 TP53 114/4885POLB 1556/4885ALDH1A1 1668/4885
US-20170360781-A1 PHARMACEUTICAL COMPOSITION COMPRISING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE INGREDIENT AK2, PRKAA1, ACAD9 TP53 320/4885POLB 948/4885ALDH1A1 1287/4885

“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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