SCHEMBL1368614

SCHEMBL1368614

CN(c1ccccc1S(C)(=O)=O)c1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.45
ALDH1A1 P00352 3/20 0.35
KCNN4 O15554 2/20 0.34
PTK2 Q05397 3/20 0.33
PTK2B Q14289 1/20 0.33
PRKDC P78527 1/20 0.33
POLB P06746 2/20 0.33
EDNRA P25101 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
NOTUM Q6P988 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1367302 0.81 KCNA5 (0.64) KCNA5ALDH1A1KCNN4PRKDCNOTUM
SCHEMBL1370630 0.80 KCNA5 (0.46) KCNA5ALDH1A1KCNN4PRKDCNOTUM
SCHEMBL1369059 0.76 ALK (0.45) ALDH1A1PTGS1LMNASMN1; SMN2TP53
SCHEMBL1369037 0.75 PTGS1 (0.44) ALDH1A1PTK2PTGS1PTGS2LMNA
SCHEMBL1366785 0.74 KCNA5 (0.45) KCNA5KCNN4PRKDCPOLBNOTUM
SCHEMBL1368653 0.70 TAAR1 (0.42) KCNA5ALDH1A1PTK2LMNASMN1; SMN2
SCHEMBL1368740 0.69 HCRTR1 (0.40) ALDH1A1PTK2LMNA
SCHEMBL2062944 0.68 KCNA5 (0.67) KCNA5NOTUM
SCHEMBL4977171 0.68 PTK2 (0.39) KCNA5ALDH1A1KCNN4PTK2PTGS1
SCHEMBL1369269 0.66 NOS2 (0.42) KCNA5KCNN4PRKDC

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 KCNA5 20/4885ALDH1A1 1611/4885KCNN4 48/4885

“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.