SCHEMBL10094643

SCHEMBL10094643

Cc1ccccc1-c1cncc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.54
CYP11B1 P15538 8/20 0.54
PRKCZ Q05513 1/20 0.51
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP17A1 P05093 4/20 0.46
KCNA5 P22460 1/20 0.46
KCNH2 Q12809 1/20 0.46
ADORA2A P29274 1/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
KDR P35968 1/20 0.44
SLC22A12 Q96S37 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43

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
SCHEMBL20873066 0.85 PRKCZ (0.64) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL30283715 0.83 PRKCZ (0.51) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL528008 0.81 PRKCZ (0.61) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL10304964 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL10272987 0.80 CYP11B2 (0.53) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL15730740 0.79 KCNA5 (0.48) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL422347 0.77 CYP2A6 (0.52) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL2996863 0.77 CYP2A6 (0.65) CYP1A2ADORA2AALDH1A1CYP2A6
SCHEMBL5617403 0.77 CYP11B2 (0.53) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2
SCHEMBL2203843 0.77 CYP17A1 (0.58) CYP11B2CYP11B1PRKCZCYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP11B2 2950/4885CYP11B1 3290/4885PRKCZ 1181/4885

“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.