SCHEMBL13859076

SCHEMBL13859076

Cc1cccc(CC2CN(C(C)C)CCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR2 P41597 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
TACR1 P25103 2/20 0.37
GHSR Q92847 2/20 0.36
ALDH1A1 P00352 2/20 0.36
BCHE P06276 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
SCHEMBL13859079 0.86 PLG (0.42) MEN1KMT2ACCR2KCNH2SLC6A2
SCHEMBL14983612 0.85 POLB (0.47) POLBCCR2KCNH2SLC6A2SLC6A4
SCHEMBL14983613 0.85 POLB (0.47) POLBCCR2KCNH2SLC6A2SLC6A4
SCHEMBL13858858 0.85 POLB (0.47) POLBCCR2KCNH2SLC6A2SLC6A4
SCHEMBL13858982 0.84 SLC6A4 (0.47) SLC6A2SLC6A4HRH3TACR1ALDH1A1
SCHEMBL13858911 0.83 HTR2B (0.47) MEN1KMT2ASLC6A2SLC6A4TACR1
SCHEMBL13859666 0.82 POLB (0.43) POLBMEN1KMT2AHRH3ALDH1A1
SCHEMBL13859074 0.80 CARM1 (0.41) KCNH2HRH3TACR1
SCHEMBL13859075 0.78 CHRNA7 (0.42) CCR2KCNH2HRH3ALDH1A1
SCHEMBL13859067 0.77 KCNH2 (0.38) POLBCCR2KCNH2SLC6A2SLC6A4

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-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 POLB 1083/4885MEN1 1654/4885KMT2A 1233/4885

“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.