SCHEMBL885036

SCHEMBL885036

Fc1ccc(Nc2ncccc2CC(c2cccnc2)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 14/20 0.48
KCNH2 Q12809 7/20 0.48
DHODH Q02127 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM4 Q14833 1/20 0.40

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
SCHEMBL884875 0.90 KCNA5 (0.56) KCNA5KCNH2DHODHKDM4ECYP1A2
SCHEMBL884464 0.88 KCNA5 (0.56) KCNA5KCNH2KDM4ECYP1A2CYP3A4
SCHEMBL2062733 0.88 KCNA5 (0.54) KCNA5KCNH2DHODH
SCHEMBL884975 0.87 KCNA5 (0.52) KCNA5KCNH2KDM4ECYP1A2CYP3A4
SCHEMBL884842 0.84 CYP19A1 (0.48) KCNA5KCNH2CYP1A2CYP3A4HPGD
SCHEMBL2063117 0.84 KCNA5 (0.59) KCNA5KCNH2DHODH
SCHEMBL884758 0.82 KCNA5 (0.49) KCNA5KCNH2
SCHEMBL884797 0.82 KCNA5 (0.46) KCNA5KCNH2KDM4EMAPTHPGD
SCHEMBL884574 0.81 KCNA5 (0.46) KCNA5KCNH2MAPTGRM4
SCHEMBL884939 0.81 KCNA5 (0.64) KCNA5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 KCNA5 11/4885KCNH2 3/4885DHODH 1364/4885

“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.