SCHEMBL1369936

SCHEMBL1369936

N#Cc1ccc(N(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.43
MKNK2 Q9HBH9 10/20 0.43
CYP17A1 P05093 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AGER Q15109 1/20 0.35
POLB P06746 1/20 0.34
RPS6KA5 O75582 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL1369322 0.91 MKNK1 (0.42) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL1369018 0.90 CYP17A1 (0.46) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL1368624 0.86 CYP17A1 (0.43) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL1369299 0.82 CYP17A1 (0.39) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL2062839 0.77 MKNK1 (0.43) MKNK1MKNK2CYP17A1ALDH1A1AGER
SCHEMBL1370790 0.73 CYP3A4 (0.37) CYP11B1CYP11B2
SCHEMBL1367454 0.73 CYP3A4 (0.38) CYP11B1CYP11B2
SCHEMBL1367453 0.73 CYP3A4 (0.36) CYP11B1CYP11B2
SCHEMBL886792 0.72 KCNA5 (0.53) MKNK1MKNK2
SCHEMBL1369076 0.72 GRM5 (0.36) ALDH1A1CYP11B2

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 9 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
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

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 MKNK1 428/4885MKNK2 450/4885CYP17A1 3263/4885

“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.