SCHEMBL884700

SCHEMBL884700

O=C(Nc1ccncc1)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.67
KCNH2 Q12809 4/20 0.60
ROCK2 O75116 6/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
SIRT2 Q8IXJ6 2/20 0.50
ROCK1 Q13464 1/20 0.50
POLB P06746 2/20 0.48
PSMD14 O00487 1/20 0.48
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
KCNK3 O14649 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL884689 0.93 KCNA5 (0.68) KCNA5KCNH2ROCK2ADRB2ADRB1
SCHEMBL2063011 0.86 KCNA5 (0.65) KCNA5KCNH2ADRB2ADRB1ADRB3
SCHEMBL884694 0.86 KCNA5 (0.65) KCNA5KCNH2ROCK2ROCK1SMN1; SMN2
SCHEMBL884739 0.85 KCNA5 (0.78) KCNA5KCNH2
SCHEMBL884297 0.84 KCNA5 (0.67) KCNA5KCNH2ADRB2ADRB1ADRB3
SCHEMBL885046 0.84 KCNA5 (0.67) KCNA5KCNH2ROCK2ROCK1JAK2
SCHEMBL884527 0.83 KCNA5 (0.66) KCNA5KCNH2ROCK2ADRB2ADRB1
SCHEMBL884585 0.83 KCNA5 (0.66) KCNA5KCNH2SMN1; SMN2
SCHEMBL884970 0.83 KCNA5 (0.75) KCNA5KCNH2SIRT2
SCHEMBL2063939 0.81 KCNA5 (0.63) KCNA5KCNH2ROCK2POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885ROCK2 1928/4885

“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.