SCHEMBL1369018

SCHEMBL1369018

c1cncc(N(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
ALDH1A1 P00352 1/20 0.45
MKNK1 Q9BUB5 11/20 0.45
MKNK2 Q9HBH9 10/20 0.45
POLB P06746 1/20 0.42
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR1 P11362 1/20 0.37
MAPK1 P28482 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
SCHEMBL1368624 0.96 CYP17A1 (0.43) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL1369936 0.90 MKNK1 (0.43) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL1369299 0.89 CYP17A1 (0.39) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL1369322 0.88 MKNK1 (0.42) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL885991 0.76 KCNA5 (0.49) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL1367495 0.76 PRKDC (0.35) ALDH1A1
SCHEMBL1370175 0.73 GABRP (0.42)
SCHEMBL884668 0.72 KCNA5 (0.42) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL885805 0.71 KCNA5 (0.41) CYP17A1ALDH1A1MKNK1MKNK2POLB
SCHEMBL1369973 0.71 PIK3CA (0.45) ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089735-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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 CYP17A1 3263/4885ALDH1A1 1611/4885MKNK1 428/4885

“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.