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SCHEMBL1368653

SCHEMBL1368653

CS(=O)(=O)c1cccc(N(Cc2cccnc2Nc2ccccc2S(C)(=O)=O)c2cccnc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ALK Q9UM73 2/20 0.40
▸ JAK1 P23458 4/20 0.37
▸ TYK2 P29597 4/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ VNN1 O95497 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KIT P10721 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ EPHB4 P54760 2/20 0.35
▸ PIP4K2A P48426 1/20 0.34
▸ PIP4K2C Q8TBX8 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ EIF4H Q15056 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
SCHEMBL1370576 0.94 TAAR1 (0.41) TAAR1ALKJAK1TYK2JAK2
SCHEMBL1369059 0.92 ALK (0.45) ALKJAK1TYK2JAK2ALDH1A1
SCHEMBL1369281 0.89 TAAR1 (0.37) TAAR1JAK1TYK2JAK2JAK3
SCHEMBL4977171 0.88 PTK2 (0.39) ALKJAK1TYK2PTK2ALDH1A1
SCHEMBL1368740 0.85 HCRTR1 (0.40) ALKJAK1TYK2JAK2JAK3
SCHEMBL1369370 0.83 USP2 (0.38) TAAR1JAK1TYK2JAK2JAK3
SCHEMBL1369037 0.82 PTGS1 (0.44) ALKJAK1TYK2JAK2JAK3
SCHEMBL884615 0.78 KCNA5 (0.41) ALKJAK1TYK2JAK2VNN1
SCHEMBL14450947 0.76 ABCG2 (0.36) PTK2ALDH1A1KCNH2KCNA5
SCHEMBL1368209 0.75 ALDH1A1 (0.40) PTK2ALDH1A1LMNASMN1; SMN2KCNA5

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
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

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 TAAR1 930/4885ALK 967/4885JAK1 2683/4885

“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.