SCHEMBL12413754

SCHEMBL12413754

CC(C)Cn1cnc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
PABPC1 P11940 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.46
PDE4D Q08499 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
KCNH2 Q12809 1/20 0.43
TLR7 Q9NYK1 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
SCHEMBL6177911 0.87 MEN1 (0.49) TP53MEN1PABPC1KMT2APOLB
SCHEMBL8970101 0.80 MEN1 (0.51) TP53MEN1PABPC1KMT2APDE4D
SCHEMBL12132424 0.80 KMT2A (0.43) TP53MEN1PABPC1KMT2APOLB
SCHEMBL27708062 0.77 MEN1 (0.51) TP53MEN1PABPC1KMT2ALMNA
SCHEMBL27361024 0.76 MEN1 (0.48) TP53MEN1PABPC1KMT2ALMNA
SCHEMBL13111955 0.76 MEN1 (0.48) TP53MEN1PABPC1KMT2ACSF1R
SCHEMBL3350693 0.75 TLR7 (0.47) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL18926935 0.75 TLR7 (0.38) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL1026002 0.75 APAF1 (0.67) POLBLMNAAPAF1TDP1
SCHEMBL10684276 0.74 MEN1 (0.49) TP53MEN1PABPC1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (2 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-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 TP53 2480/4885MEN1 163/4885PABPC1 3283/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E TP53 1843/4885MEN1 4804/4885PABPC1 500/4885

“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.