SCHEMBL1383656

SCHEMBL1383656

COc1ccc2c(N3CCC(O)CC3)nc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 5/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
KCNA5 P22460 6/20 0.52
KCNH2 Q12809 4/20 0.52
MAOB P27338 1/20 0.47
HTR6 P50406 1/20 0.47
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL1382620 0.94 KCNA5 (0.50) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1383782 0.94 KCNA5 (0.50) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL5505607 0.94 KCNA5 (0.50) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1385352 0.89 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1382239 0.89 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1384650 0.88 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1381879 0.88 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1381875 0.88 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL1385829 0.88 KCNA5 (0.53) KDM4EMEN1KMT2AALDH1A1CASP1
SCHEMBL3124134 0.85 KCNA5 (0.54) KDM4EMEN1KMT2AALDH1A1HSD17B10

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 811/4885MEN1 2371/4885KMT2A 406/4885

“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.