SCHEMBL884758

SCHEMBL884758

COc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 10/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
PIK3CA P42336 7/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CG P48736 6/20 0.45
PIK3CB P42338 5/20 0.45
MTOR P42345 3/20 0.45
KCNH2 Q12809 4/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL884975 0.84 KCNA5 (0.52) KCNA5KCNH2
SCHEMBL885036 0.82 KCNA5 (0.48) KCNA5KCNH2
SCHEMBL884875 0.82 KCNA5 (0.56) KCNA5KCNH2
SCHEMBL884744 0.82 KCNA5 (0.47) KCNA5KMT2AMEN1USP2KCNH2
SCHEMBL884464 0.81 KCNA5 (0.56) KCNA5KCNH2
SCHEMBL2062733 0.80 KCNA5 (0.54) KCNA5KMT2AMEN1KCNH2
SCHEMBL884706 0.80 KCNA5 (0.51) KCNA5KCNH2ALDH1A1
SCHEMBL884325 0.79 MTOR (0.46) KCNA5KMT2APIK3CAMTORKCNH2
SCHEMBL884414 0.79 ABCG2 (0.46) KCNA5KCNH2
SCHEMBL1373989 0.78 PIK3CA (0.52) KMT2AMEN1USP2PIK3CAPIK3CD

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 11/4885KMT2A 278/4885MEN1 2152/4885

“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.