Sugi Predict

Sugi Predict / Compounds / SCHEMBL1368148

SCHEMBL1368148

SCHEMBL1368148

c1cncc(Nc2ncccc2CN(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.40
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SGMS2 Q8NHU3 5/20 0.38
▸ SGMS1 Q86VZ5 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KCNA5 P22460 1/20 0.38
▸ PDE5A O76074 2/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL1368209 0.80 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CL3MBTL1KCNA5
SCHEMBL4977595 0.78 ALDH1A1 (0.42) SGMS2NPC1RAB9AKCNA5MAPT
SCHEMBL1369059 0.77 ALK (0.45) ADRA2AADRA2CKDM4ESMN1; SMN2KMT2A
SCHEMBL1369269 0.76 NOS2 (0.42) KCNA5
SCHEMBL1370133 0.75 MAPK1 (0.40) SMN1; SMN2
SCHEMBL884975 0.73 KCNA5 (0.52) KDM4EKCNA5PDE5A
SCHEMBL12141199 0.73 NAMPT (0.44) SGMS2RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL1367218 0.73 P2RY1 (0.36) KCNA5MAPTHTTSMN1; SMN2KMT2A
SCHEMBL1367302 0.72 KCNA5 (0.64) KCNA5
SCHEMBL1368500 0.72 MEN1 (0.36) SGMS2SGMS1L3MBTL1MAPTHTT

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 MAP4K4 343/4885ADRA2A 570/4885ADRA2B 358/4885

“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.