SCHEMBL884517

SCHEMBL884517

O=C(Nc1ccccc1)c1ncccc1CC(c1cccnc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.52
KCNH2 Q12809 3/20 0.50
PRKCI P41743 1/20 0.48
ATR Q13535 2/20 0.47
CYP3A4 P08684 1/20 0.47
NAMPT P43490 3/20 0.47
EPHX2 P34913 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
ADRB3 P13945 2/20 0.45
TBXAS1 P24557 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
KCNK3 O14649 1/20 0.43

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
SCHEMBL884558 0.85 KCNA5 (0.51) KCNA5KCNH2EPHX2TBXAS1LMNA
SCHEMBL884593 0.82 NPC1 (0.52) KCNA5KCNH2CYP3A4NAMPTEPHX2
SCHEMBL884598 0.81 KCNA5 (0.55) KCNA5KCNH2TBXAS1LMNA
SCHEMBL884491 0.78 KCNA5 (0.52) KCNA5KCNH2NAMPTEPHX2NPC1
SCHEMBL884677 0.78 KCNA5 (0.59) KCNA5KCNH2TBXAS1LMNA
Trifluoroacetic Acid SCHEMBL2063813 0.78 KCNA5 (0.52) KCNA5KCNH2TBXAS1LMNA
SCHEMBL884875 0.76 KCNA5 (0.56) KCNA5KCNH2CYP3A4
SCHEMBL884775 0.74 KCNA5 (0.55) KCNA5KCNH2NPC1RAB9AGAA
SCHEMBL884689 0.74 KCNA5 (0.68) KCNA5KCNH2NAMPTNPC1RAB9A
SCHEMBL884938 0.73 KCNA5 (0.67) KCNA5KCNH2NPC1RAB9AADRB1

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 3/4885PRKCI 1203/4885

“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.