SCHEMBL2064504

SCHEMBL2064504

N#Cc1ccc(C(Cc2cccnc2Nc2cccnc2)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
KCNA5 P22460 11/20 0.44
KCNH2 Q12809 5/20 0.44
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
SGMS2 Q8NHU3 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP3A4 P08684 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
SCHEMBL884842 0.92 CYP19A1 (0.48) CYP19A1KCNA5KCNH2ABCG2NPC1
SCHEMBL884975 0.89 KCNA5 (0.52) KCNA5KCNH2CYP1A2CYP2D6CYP2C9
SCHEMBL884733 0.87 KCNA5 (0.53) KCNA5KCNH2ABCG2SGMS2
SCHEMBL884875 0.84 KCNA5 (0.56) KCNA5KCNH2SMN1; SMN2CYP1A2CYP2D6
SCHEMBL884652 0.83 KCNA5 (0.43) CYP19A1KCNA5KCNH2ALDH1A1HPGD
SCHEMBL884778 0.83 KCNA5 (0.44) CYP19A1KCNA5KCNH2ABCG2
SCHEMBL884464 0.80 KCNA5 (0.56) KCNA5KCNH2CYP1A2CYP2D6CYP2C9
SCHEMBL885103 0.79 KCNA5 (0.60) CYP19A1KCNA5KCNH2CYP11B2
SCHEMBL884861 0.78 KCNA5 (0.47) KCNA5KCNH2NPC1ALDH1A1HPGD
SCHEMBL885036 0.77 KCNA5 (0.48) KCNA5KCNH2CYP11B1CYP11B2HPGD

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 3 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
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 CYP19A1 4632/4885KCNA5 11/4885KCNH2 3/4885

“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.