SCHEMBL884670

SCHEMBL884670

Fc1ncccc1C(c1cccnc1)C(F)c1cccnc1-n1cnc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP17A1 P05093 1/20 0.39
MKNK1 Q9BUB5 11/20 0.39
MKNK2 Q9HBH9 10/20 0.39
POLB P06746 1/20 0.37
KCNA5 P22460 1/20 0.36
LCK P06239 2/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 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
SCHEMBL884668 0.80 KCNA5 (0.42) ALDH1A1CYP17A1MKNK1MKNK2POLB
SCHEMBL884719 0.73 KCNA5 (0.39) CYP17A1MKNK1MKNK2KCNA5
SCHEMBL885991 0.71 KCNA5 (0.49) ALDH1A1CYP17A1MKNK1MKNK2POLB
SCHEMBL4325165 0.71 ALDH1A1 (0.45) ALDH1A1CYP17A1MKNK1MKNK2POLB
SCHEMBL10094244 0.70 ALDH1A1 (0.55) ALDH1A1MKNK1MKNK2POLBLCK
SCHEMBL885805 0.67 KCNA5 (0.41) ALDH1A1CYP17A1MKNK1MKNK2POLB
SCHEMBL38661689 0.66 HTT (0.70) CYP17A1POLB
SCHEMBL4106400 0.66 HTT (0.70) CYP17A1POLB
SCHEMBL10094539 0.65 FGFR1 (0.52) ALDH1A1CYP17A1MKNK1MKNK2POLB
SCHEMBL1369018 0.65 CYP17A1 (0.46) ALDH1A1CYP17A1MKNK1MKNK2POLB

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 10 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-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
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ALDH1A1 2989/4885CYP17A1 3931/4885MKNK1 295/4885

“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.