SCHEMBL3117174

SCHEMBL3117174

COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3ccccc3)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.81
KCNH2 Q12809 5/20 0.81
MAT2A P31153 1/20 0.42
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
BCHE P06276 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 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
SCHEMBL3116897 0.91 KCNA5 (0.73) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3125976 0.89 KCNA5 (0.80) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3263608 0.89 KCNH2 (1.00) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3122134 0.89 KCNA5 (0.74) KCNA5KCNH2KDM4EMAPTALDH1A1
SCHEMBL3124648 0.88 KCNA5 (0.69) KCNA5KCNH2MAT2AMAOAMAOB
SCHEMBL3125381 0.88 KCNA5 (0.72) KCNA5KCNH2MAT2AMAOAMAOB
SCHEMBL3116073 0.86 KCNA5 (0.67) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL13380127 0.85 KCNA5 (0.67) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3121615 0.84 KCNA5 (0.66) KCNA5KCNH2MAOAMAOBKDM4E
SCHEMBL3118088 0.83 KCNA5 (0.65) KCNA5KCNH2MAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060276450-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-07 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-20060276450-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNJ2 KCNA5 15/4885KCNH2 5/4885MAT2A 3983/4885

“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.