SCHEMBL3622694

SCHEMBL3622694

COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)c(=O)n2Cc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.51
KCNH2 Q12809 3/20 0.51
PLA2G2A P14555 2/20 0.49
GRIN1 Q05586 4/20 0.48
GRIN2B Q13224 4/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
GNRHR P30968 10/20 0.45

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
SCHEMBL3622231 0.83 GABRA1 (0.52) KCNA5KCNH2GRIN1GRIN2BKDM4E
SCHEMBL3481278 0.82 KCNA5 (0.54) KCNA5KCNH2GRIN1GRIN2BKDM4E
SCHEMBL2641302 0.82 KCNA5 (0.52) KCNA5KCNH2KDM4E
SCHEMBL3620578 0.80 KCNA5 (0.55) KCNA5KCNH2KDM4E
SCHEMBL2640082 0.78 KCNA5 (0.74) KCNA5KCNH2KDM4E
SCHEMBL2641192 0.77 KCNA5 (0.54) KCNA5KCNH2KDM4E
SCHEMBL2641407 0.77 KCNA5 (0.45) KCNA5KCNH2KDM4E
SCHEMBL1383398 0.76 KCNA5 (0.67) KCNA5KCNH2GNRHR
SCHEMBL2639760 0.76 IDO1 (0.43) KCNA5KCNH2GRIN1GRIN2BKDM4E
SCHEMBL3619854 0.76 KCNA5 (0.51) KCNA5KCNH2KDM4EGNRHR

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 10 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-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

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 4/4885PLA2G2A 2593/4885

“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.