SCHEMBL1369059

SCHEMBL1369059

CS(=O)(=O)c1ccccc1Nc1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 3/20 0.45
TYK2 P29597 5/20 0.40
JAK1 P23458 4/20 0.40
ADRA1A P35348 3/20 0.37
JAK2 O60674 2/20 0.37
KIT P10721 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTGS1 P23219 1/20 0.37
PABPC1 P11940 1/20 0.36
EIF4H Q15056 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
INSR P06213 1/20 0.35

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
SCHEMBL1368653 0.92 TAAR1 (0.42) ALKTYK2JAK1JAK2KIT
SCHEMBL1368740 0.91 HCRTR1 (0.40) ALKTYK2JAK1JAK2ALDH1A1
SCHEMBL4977171 0.89 PTK2 (0.39) ALKTYK2JAK1PTGS1ALDH1A1
SCHEMBL1369037 0.89 PTGS1 (0.44) ALKTYK2JAK1ADRA1AJAK2
SCHEMBL1370576 0.85 TAAR1 (0.41) ALKTYK2JAK1ADRA1AJAK2
SCHEMBL1368209 0.81 ALDH1A1 (0.40) ADRA1AALDH1A1CDK9ADRA2AADRA2C
SCHEMBL1369281 0.81 TAAR1 (0.37) TYK2JAK1JAK2KITALDH1A1
SCHEMBL4977595 0.79 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL884789 0.78 KCNA5 (0.45) ALKTYK2JAK1ADRA1AKCNH2
SCHEMBL1367218 0.78 P2RY1 (0.36) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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 ALK 967/4885TYK2 1290/4885JAK1 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.