SCHEMBL2641192

SCHEMBL2641192

C=CCCCn1c(=O)c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.54
KCNH2 Q12809 6/20 0.54
HTR3A P46098 1/20 0.43
PGR P06401 2/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MYLK Q15746 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM2 Q14416 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL3620578 0.89 KCNA5 (0.55) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL3625695 0.83 KCNA5 (0.62) KCNA5KCNH2HTR3APGRRORA
SCHEMBL3481278 0.79 KCNA5 (0.54) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL2640082 0.79 KCNA5 (0.74) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL2641302 0.78 KCNA5 (0.52) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL2167818 0.77 KCNA5 (0.43) KCNA5KCNH2ALDH1A1KDM4EMAPT
SCHEMBL3622694 0.77 KCNA5 (0.51) KCNA5KCNH2KDM4E
SCHEMBL3622231 0.76 GABRA1 (0.52) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL3619854 0.76 KCNA5 (0.51) KCNA5KCNH2ALDH1A1KDM4EHPGD
SCHEMBL3122092 0.76 KCNA5 (0.75) KCNA5KCNH2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1667973-B1 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP claimed
JP-4794445-B2 2011-10-19 JP claimed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US claimed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US claimed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
EP-1667973-B1 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 EP disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
US-7825131-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-11-02 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
US-20070078154-A1 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-04-05 US disclosed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030792-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20070078154-A1 Quinoline potassium channel inhibitors KCNQ2, KCNQ1, KCNJ2 KCNA5 15/4885KCNH2 4/4885HTR3A 2244/4885

“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.