SCHEMBL6047735

SCHEMBL6047735

COc1ccc2c(NCCCCO)nc(C#N)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.59
KCNH2 Q12809 7/20 0.59
MERTK Q12866 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAD52 P43351 2/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL1385287 0.97 KCNA5 (0.60) KCNA5KCNH2MERTKALDH1A1KDM4E
SCHEMBL1382414 0.94 KCNA5 (0.61) KCNA5KCNH2ALDH1A1KDM4ENPSR1
Monoethanolamine SCHEMBL5507362 0.91 KCNA5 (0.57) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1383316 0.88 KCNA5 (0.68) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1382986 0.88 KCNA5 (0.68) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1382989 0.88 KCNA5 (0.68) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL3119826 0.86 KCNA5 (0.54) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1385728 0.85 KCNA5 (0.81) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL1384017 0.85 KCNA5 (0.81) KCNA5KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL5500034 0.85 KCNA5 (0.81) KCNA5KCNH2ALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed

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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885MERTK 3482/4885

“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.