SCHEMBL1384138

SCHEMBL1384138

COc1ccc2cnc(C#N)c(-c3ccccc3F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
HPGDS O60760 1/20 0.40
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP11B1 P15538 4/20 0.39
CYP11B2 P19099 4/20 0.39
CYP17A1 P05093 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP8 P40818 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL1378608 0.83 KCNA5 (0.54) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL6047752 0.81 RAB9A (0.39) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1382839 0.80 KDM4E (0.45) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1384577 0.80 KCNA5 (0.59) RAB9ANPC1ALDH1A1KDM4EHPGDS
SCHEMBL28881056 0.74 MAPT (0.51) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL11625815 0.71 ALDH1A1 (0.47) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1382433 0.71 KCNA5 (0.77) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1382491 0.71 KCNA5 (0.77) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL1382484 0.71 KCNA5 (0.77) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL3118199 0.68 KDM4E (0.45) RAB9ANPC1MAPTALDH1A1KDM4E

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 RAB9A 2350/4885NPC1 484/4885MAPT 2844/4885

“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.