SCHEMBL1367302

SCHEMBL1367302

CN(c1cccnc1)c1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.64
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
KCNN4 O15554 2/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP2A6 P11509 1/20 0.35
PRKDC P78527 2/20 0.35
POLQ O75417 1/20 0.34
CHRNA7 P36544 1/20 0.34
GAA P10253 1/20 0.34
GRM5 P41594 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2062944 0.85 KCNA5 (0.67) KCNA5CHRNB2CHRNA4NOTUMCYP2A6
SCHEMBL1370630 0.83 KCNA5 (0.46) KCNA5CHRNB2CHRNA4KCNN4NOS3
SCHEMBL1368614 0.81 KCNA5 (0.45) KCNA5KCNN4NOTUMPRKDCALDH1A1
SCHEMBL1366785 0.81 KCNA5 (0.45) KCNA5CHRNB2CHRNA4KCNN4NOS3
SCHEMBL886825 0.79 KCNA5 (0.56) KCNA5NOTUMPOLQCYP1A2CYP3A4
SCHEMBL5032463 0.79 KCNA5 (0.56) KCNA5NOTUMPOLQGRM5CYP3A4
SCHEMBL884806 0.78 KCNA5 (1.00) KCNA5
SCHEMBL10094607 0.78 KCNA5 (0.57) KCNA5CHRNB2CHRNA4KCNN4NOS3
SCHEMBL1369269 0.77 NOS2 (0.42) KCNA5CHRNB2CHRNA4KCNN4NOS3
SCHEMBL884617 0.76 KCNA5 (0.95) 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 12 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
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 KCNA5 20/4885CHRNB2 501/4885CHRNA4 327/4885

“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.