Sugi Predict

Sugi Predict / Compounds / SCHEMBL3620771

SCHEMBL3620771

SCHEMBL3620771

C=CCn1c(C#N)c(-c2ccccc2F)c2cc(OC)ccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 8/20 0.52
▸ KCNH2 Q12809 7/20 0.52
▸ KDM4E B2RXH2 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RXRA P19793 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL3624698 0.86 KCNA5 (0.67) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3122092 0.83 KCNA5 (0.75) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3625029 0.82 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL1384181 0.82 KCNA5 (0.51) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3617443 0.82 KCNA5 (0.76) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL13283560 0.80 KCNA5 (0.59) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3627103 0.80 KCNA5 (0.58) KCNA5KCNH2KDM4EALDH1A1MAPT
SCHEMBL3625509 0.79 KCNA5 (0.57) KCNA5KCNH2KDM4EALDH1A1DPP4
SCHEMBL4639832 0.76 KCNA5 (0.68) KCNA5KCNH2ALDH1A1DPP4MAPK8
SCHEMBL3118199 0.75 KDM4E (0.45) KCNA5KCNH2KDM4EALDH1A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US disclosed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US disclosed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 — — 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885KDM4E 856/4885

“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.