SCHEMBL1382839

SCHEMBL1382839

COc1ccc2c(Cl)nc(C#N)c(-c3ccccc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
MAPT P10636 7/20 0.45
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 3/20 0.45
NPC1 O15118 4/20 0.43
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 3/20 0.38
USP8 P40818 2/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL1385303 0.83 KCNA5 (0.59) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1386006 0.81 KCNA5 (0.66) KDM4EMAPTRAB9AALDH1A1KCNA5
SCHEMBL1384138 0.80 RAB9A (0.55) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL3119226 0.77 KDM4E (0.49) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1382484 0.76 KCNA5 (0.77) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1382491 0.76 KCNA5 (0.77) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1382433 0.76 KCNA5 (0.77) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL3118199 0.72 KDM4E (0.45) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1384181 0.71 KCNA5 (0.51) KDM4EMAPTRAB9AALDH1A1GAA
SCHEMBL1383814 0.71 KCNA5 (0.62) KDM4EMAPTRAB9AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4794446-B2 2011-10-19 JP claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US claimed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP claimed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US claimed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP claimed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 WO claimed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
US-7691879-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-04-06 US disclosed
EP-1667979-A4 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2007-04-18 EP disclosed
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 US disclosed
EP-1667979-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030130-A2 ISOQUINOLINE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KDM4E 811/4885MAPT 2844/4885RAB9A 2350/4885

“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.