SCHEMBL1369269

SCHEMBL1369269

Clc1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
KCNA5 P22460 8/20 0.41
KCNN4 O15554 2/20 0.39
CYP2A6 P11509 3/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
PRKDC P78527 2/20 0.34
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 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
SCHEMBL1367302 0.77 KCNA5 (0.64) NOS2NOS3NOS1KCNA5KCNN4
SCHEMBL1368148 0.76 MAP4K4 (0.40) KCNA5
SCHEMBL1366785 0.72 KCNA5 (0.45) NOS2NOS3NOS1KCNA5KCNN4
SCHEMBL12092564 0.72 SLC6A4 (0.43) CHRNB2CHRNA4KDM1AMAOB
SCHEMBL16215913 0.71 CHRNB2 (0.47) CHRNB2CHRNA4KDM1AMAOB
SCHEMBL1369973 0.71 PIK3CA (0.45) SCN2ASCN10A
SCHEMBL7015751 0.70 CYP1A2 (0.56) CYP2A6
SCHEMBL1369018 0.69 CYP17A1 (0.46)
SCHEMBL18590701 0.69 GAA (0.53) KCNA5KCNN4CHRNB2CHRNA4
SCHEMBL2063083 0.68 KCNA5 (0.64) KCNA5

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-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 NOS2 3129/4885NOS3 2048/4885NOS1 2554/4885

“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.