SCHEMBL1040962

SCHEMBL1040962

C=CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 15/20 0.46
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ENPP2 Q13822 1/20 0.35
NMBR P28336 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31
GAS6 Q14393 1/20 0.31

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
SCHEMBL1040511 0.85 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7972750 0.84 SIRT2 (0.48) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL8794940 0.83 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL7623008 0.82 SIRT2 (0.47) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL19865793 0.81 SIRT2 (0.50) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL4382643 0.80 SIRT2 (0.54) SIRT2CYP11B1CYP11B2ENPP2
SCHEMBL1041048 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL14993551 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL8125239 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2NMBR
SCHEMBL2035093 0.80 SIRT2 (0.49) SIRT2CYP11B1CYP11B2ENPP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-8314097-B2 Organic compounds NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 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 (4 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 SIRT2 2715/4885CYP11B1 5/4885CYP11B2 14/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 SIRT2 2715/4885CYP11B1 5/4885CYP11B2 14/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 SIRT2 2715/4885CYP11B1 5/4885CYP11B2 14/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 SIRT2 2715/4885CYP11B1 5/4885CYP11B2 14/4885

“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.