Sugi Predict

Sugi Predict / Compounds / SCHEMBL1369322

SCHEMBL1369322

SCHEMBL1369322

N#Cc1cccc(N(Cc2cccnc2-n2cnc3ccccc32)c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 8/20 0.42
▸ MKNK2 Q9HBH9 9/20 0.42
▸ CYP17A1 P05093 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ KCNN4 O15554 1/20 0.34
▸ KCNA5 P22460 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CLK4 Q9HAZ1 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
SCHEMBL1369936 0.91 MKNK1 (0.43) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL1369018 0.88 CYP17A1 (0.46) MKNK1MKNK2CYP17A1ALDH1A1MAPK1
SCHEMBL1368624 0.84 CYP17A1 (0.43) MKNK1MKNK2CYP17A1ALDH1A1POLB
SCHEMBL1369076 0.81 GRM5 (0.36) ALDH1A1GRM5KCNN4KCNA5MEN1
SCHEMBL1369299 0.80 CYP17A1 (0.39) MKNK1MKNK2CYP17A1ALDH1A1MEN1
SCHEMBL1369842 0.75 GRM5 (0.37) ALDH1A1GRM5KCNN4KCNA5MEN1
SCHEMBL1367811 0.74 GRM5 (0.32) ALDH1A1GRM5KCNN4KCNA5CYP1A2
SCHEMBL1368342 0.74 GRM5 (0.33) GRM5KCNN4KCNA5CYP3A4
SCHEMBL1368340 0.74 CYP11B1 (0.34) GRM5KCNN4KCNA5CYP3A4
SCHEMBL2062839 0.72 MKNK1 (0.43) MKNK1MKNK2CYP17A1ALDH1A1JAK2

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-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
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.