SCHEMBL3481278

SCHEMBL3481278

COc1ccc(Cn2c(=O)c(C#N)c(-c3cccc(F)c3)c3cc(OC)ccc32)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.54
KCNH2 Q12809 5/20 0.54
EDNRB P24530 4/20 0.46
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CYP2C9 P11712 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 3/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 3/20 0.40
CYP2D6 P10635 3/20 0.40
TSHR P16473 3/20 0.40
CYP2C19 P33261 3/20 0.40

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
SCHEMBL3622871 0.90 EDNRB (0.45) KCNA5KCNH2EDNRBALDH1A1CYP1A2
SCHEMBL2641389 0.86 EDNRB (0.47) KCNA5KCNH2EDNRBALDH1A1LMNA
SCHEMBL13035840 0.85 PDE9A (0.55) KCNA5KCNH2EDNRBALDH1A1CYP1A2
SCHEMBL3620578 0.82 KCNA5 (0.55) KCNA5KCNH2ALDH1A1HSD17B10LMNA
SCHEMBL3622694 0.82 KCNA5 (0.51) KCNA5KCNH2GRIN1GRIN2BKDM4E
Hydrochloric Acid SCHEMBL3619565 0.81 EDNRB (0.46) KCNA5KCNH2EDNRBALDH1A1LMNA
SCHEMBL3622231 0.81 GABRA1 (0.52) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL2641302 0.81 KCNA5 (0.52) KCNA5KCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL2640082 0.80 KCNA5 (0.74) KCNA5KCNH2ALDH1A1LMNAKDM4E
SCHEMBL2641192 0.79 KCNA5 (0.54) KCNA5KCNH2ALDH1A1LMNAKDM4E

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
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-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
US-7692017-B2 Quinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667683-A4 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2009-04-29 EP 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
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias MERCK & CO., INC. (US) 2007-02-22 US disclosed
EP-1667973-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
EP-1667683-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030129-A2 QUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO 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 (2 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 4/4885EDNRB 2470/4885
US-20070043042-A1 Such as 2-(Allyloxy)-4-(3-fluorophenyl)-6-methoxyquinoline-3-carbonitrile; for treating cardiac arrhthymias KCNH2, KCNJ2, KCNQ1 KCNA5 28/4885KCNH2 1/4885EDNRB 719/4885

“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.