SCHEMBL1369370

SCHEMBL1369370

CSc1ccccc1Nc1ncccc1CN(c1cccc(S(C)(=O)=O)c1)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
KCNA5 P22460 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHB4 P54760 2/20 0.35
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
TNNI3K Q59H18 1/20 0.34
ROCK1 Q13464 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 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
SCHEMBL1369281 0.94 TAAR1 (0.37) USP2NPSR1JAK2JAK3PTK2
SCHEMBL1370576 0.88 TAAR1 (0.41) JAK2JAK3PTK2TAAR1KCNA5
SCHEMBL1368653 0.83 TAAR1 (0.42) JAK2JAK3PTK2TAAR1KCNA5
SCHEMBL1368209 0.80 ALDH1A1 (0.40) PTK2KCNA5ALDH1A1POLBSMN1; SMN2
SCHEMBL1370788 0.76 GRM5 (0.37) USP2PTK2KCNA5ALDH1A1SMN1; SMN2
SCHEMBL1368500 0.74 MEN1 (0.36) USP2JAK2PTK2ALDH1A1SMN1; SMN2
SCHEMBL1369059 0.73 ALK (0.45) JAK2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4977171 0.71 PTK2 (0.39) PTK2KCNA5ALDH1A1GRM5JAK1
SCHEMBL1368740 0.68 HCRTR1 (0.40) USP2JAK2JAK3PTK2ALDH1A1
SCHEMBL1367521 0.67 TAAR1 (0.33) JAK2JAK3PTK2TAAR1KCNA5

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 7 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-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 USP2 4463/4885NPSR1 1882/4885JAK2 2639/4885

“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.