SCHEMBL2641407

SCHEMBL2641407

COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)c(=O)n2Cc1nc(-c2cccnc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.45
KCNH2 Q12809 3/20 0.45
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 8/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
CLK1 P49759 1/20 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
SCHEMBL3622231 0.84 GABRA1 (0.52) KCNA5KCNH2MAPTCYP1A2CYP3A4
SCHEMBL2178628 0.81 MAPT (0.47) KCNA5KCNH2ABCB1ABCC1ABCG2
SCHEMBL3481278 0.77 KCNA5 (0.54) KCNA5KCNH2MAPTTP53CYP1A2
SCHEMBL3622694 0.77 KCNA5 (0.51) KCNA5KCNH2KDM4E
SCHEMBL2641302 0.74 KCNA5 (0.52) KCNA5KCNH2MAPTCYP1A2CYP3A4
SCHEMBL3620578 0.74 KCNA5 (0.55) KCNA5KCNH2MAPTSMN1; SMN2PKM
SCHEMBL2640082 0.72 KCNA5 (0.74) KCNA5KCNH2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3619854 0.71 KCNA5 (0.51) KCNA5KCNH2SMN1; SMN2PKMALDH1A1
SCHEMBL2641192 0.71 KCNA5 (0.54) KCNA5KCNH2MAPTSMN1; SMN2ALDH1A1
SCHEMBL3625695 0.69 KCNA5 (0.62) KCNA5KCNH2MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 4/4885ABCB1 397/4885

“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.