SCHEMBL4468137

SCHEMBL4468137

O=C(O)Nc1cccc(N(c2cccnc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KCNA5 P22460 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGAV P06756 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ITGA2B P08514 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
EPHX2 P34913 1/20 0.35
GRM5 P41594 2/20 0.35
CYP2C9 P11712 1/20 0.35
NAMPT P43490 1/20 0.35
TSHR P16473 1/20 0.34
CFTR P13569 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GOPC Q9HD26 1/20 0.34

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
SCHEMBL4461864 0.95 SMN1; SMN2 (0.38) KCNA5SMN1; SMN2LMNAL3MBTL1EPHX2
SCHEMBL4463549 0.90 CYP19A1 (0.43) KCNA5SMN1; SMN2LMNAGRM5
SCHEMBL4456765 0.89 POLB (0.42) GAAKCNA5LMNAL3MBTL1EPHX2
SCHEMBL4464191 0.88 KMT2A (0.39) KCNA5LMNAGRM5NAMPT
SCHEMBL4453052 0.86 ALDH1A1 (0.40) GRM5NAMPT
SCHEMBL4453045 0.86 NR3C2 (0.39) SMN1; SMN2EPHX2CYP2C9NAMPTTSHR
SCHEMBL4458217 0.86 NAMPT (0.40) GAAHPGDKCNA5LMNAL3MBTL1
SCHEMBL4457629 0.80 KCNA5 (0.52) GAAHPGDKCNA5NAMPTSLC6A3
SCHEMBL4458225 0.80 KCNA5 (0.49) KCNA5CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4469178 0.79 POLB (0.41) KCNA5LMNAL3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 GAA 4269/4885HPGD 4421/4885KCNA5 11/4885

“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.