Sugi Predict

Sugi Predict / Compounds / SCHEMBL1367397

SCHEMBL1367397

SCHEMBL1367397

COc1ccc(N(Cc2cccnc2-n2c(=O)[nH]c3ccccc32)c2cccnc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ GABRP O00591 3/20 0.35
▸ GABRD O14764 3/20 0.35
▸ GABRA1 P14867 3/20 0.35
▸ GABRB1 P18505 3/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ GABRA4 P48169 3/20 0.35
▸ GABRE P78334 3/20 0.35
▸ GABRA6 Q16445 3/20 0.35
▸ GABRG1 Q8N1C3 3/20 0.35
▸ GABRG3 Q99928 3/20 0.35
▸ GABRQ Q9UN88 3/20 0.35
▸ HCRTR1 O43613 2/20 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
SCHEMBL1370175 0.90 GABRP (0.42) NOS3NOS1NOS2GABRPGABRD
SCHEMBL1369299 0.78 CYP17A1 (0.39) HCRTR1HCRTR2ALDH1A1
SCHEMBL1367495 0.73 PRKDC (0.35) NOS3NOS1NOS2GABRA5PRKDC
SCHEMBL1367886 0.72 HCRTR1 (0.33) HCRTR1HCRTR2OXTR
SCHEMBL1367399 0.71 HCRTR1 (0.32) HCRTR1HCRTR2OXTRALDH1A1
SCHEMBL3624264 0.71 HCRTR1 (0.33) HCRTR1HCRTR2
SCHEMBL1367884 0.71 HCRTR1 (0.33) HCRTR1HCRTR2OXTR
SCHEMBL10143726 0.70 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30615552 0.70 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1367775 0.67 AR (0.36) NOS3NOS1NOS2GABRA1GABRA5

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 10 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
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 NOS3 2048/4885NOS1 2554/4885NOS2 3129/4885

“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.