SCHEMBL3222750

SCHEMBL3222750

NC(=O)C1(N)C=Cc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SCN4A P35499 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX4 Q99571 1/20 0.33
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
BLM P54132 1/20 0.31
CHEK1 O14757 1/20 0.30

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
SCHEMBL29291524 0.76 MAPT (0.37) MAPTGAALMNATSHRMAPK1
SCHEMBL4928116 0.76 MAPT (0.37) MAPTGAALMNATSHRMAPK1
SCHEMBL31448339 0.71 MAPT (0.43) MAPTGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL28059865 0.71 MAPT (0.43) MAPTGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL1726909 0.71 GAA (0.46) MAPTGAAALDH1A1
SCHEMBL4796337 0.70 MAPT (0.42) MAPTGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL29896250 0.70 MAPT (0.42) MAPTGAAMAPK1RAB9ASMN1; SMN2
SCHEMBL29789697 0.70 MAPT (0.50) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL2255782 0.70 MAPT (0.50) MAPTGAARAB9ASMN1; SMN2P2RX4
SCHEMBL984966 0.69 MAPT (0.41) MAPTGAALMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968944-B1 ALKYLSULPHONAMIDE QUINOLINES ASTRAZENECA AB (SE) 2016-04-20 EP disclosed
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-11-08 US disclosed
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. 2007-07-12 US disclosed
US-20070060593-A1 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3 SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
EP-1377555-B1 A DIOXINO[2,3-G]QUINOLINE-9-CARBOXYLIC ACID DERIVATIVE AS NK3 RECEPTOR ANTAGONIST GLAXOSMITHKLINE SPA (IT) 2007-01-24 EP disclosed
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GLAXOSMITHKLINE S.P.A. (IT) 2006-10-12 US disclosed
US-20060135771-A1 Quinoline derivatives as nk-2 and nk-3 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2006-06-22 US disclosed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP disclosed
EP-1377567-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
EP-1377555-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002083664-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
WO-2002083663-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US disclosed
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands NEUROGEN CORPORATION 2002-10-24 US disclosed
WO-2002083645-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2002-10-24 WO disclosed
US-6369053-B1 CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES; ALSO USEFUL AS PROBES FOR THE LOCALIZATION OF CELL SURFACE RECEPTORS; NONPEPTIDE NK-3 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION 2002-04-09 US disclosed
US-6369053-B1 CENTRAL NERVOUS SYSTEM AND PERIPHERAL DISEASES; ALSO USEFUL AS PROBES FOR THE LOCALIZATION OF CELL SURFACE RECEPTORS; NONPEPTIDE NK-3 RECEPTOR ANTAGONISTS NEUROGEN CORPORATION 2002-04-09 US disclosed
WO-2000064877-A1 2-AMINOQUINOLINECARBOXAMIDES: NEUROKININ RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2000-11-02 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 (8 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MAPT 73/4885GAA 3123/4885LMNA 4251/4885
US-20070060593-A1 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3 KCNK3, KCNQ3, KCNK2 MAPT 4836/4885GAA 1696/4885LMNA 3735/4885
US-20020156095-A1 2-aminoquinolinecarboxamides: neurokinin receptor ligands KCNQ3, OPRK1, KCNQ1 MAPT 898/4885GAA 1167/4885LMNA 2735/4885
US-20060135771-A1 Quinoline derivatives as nk-2 and nk-3 receptor antagonists KCNK3, KCNQ3, KCNK2 MAPT 4843/4885GAA 1752/4885LMNA 3430/4885
US-20070161647-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 and NK-2 RECEPTOR ANTAGONISTS KCNQ3, KCNK3, KCNK2 MAPT 4420/4885GAA 1364/4885LMNA 2768/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MAPT 73/4885GAA 3123/4885LMNA 4251/4885
US-20070259882-A1 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS KCNK3, KCNJ2, KCNK2 MAPT 4604/4885GAA 1514/4885LMNA 3412/4885
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists KCNK3, KCNJ2, KCNK2 MAPT 4604/4885GAA 1514/4885LMNA 3412/4885

“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.