SCHEMBL7950187

SCHEMBL7950187

Cc1c(-c2cccnc2)n(CO)c2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.47
CYP11B2 P19099 10/20 0.47
CYP11B1 P15538 6/20 0.45
CYP17A1 P05093 1/20 0.45
MAOA P21397 1/20 0.43
AR P10275 1/20 0.42
CYP19A1 P11511 2/20 0.41
DYRK1A Q13627 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NEK1 Q96PY6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL1605764 0.83 TBXAS1 (0.51) TBXAS1CYP11B2CYP11B1MAOA
SCHEMBL1605252 0.83 CYP11B2 (0.42) TBXAS1CYP11B2CYP11B1CYP17A1MAOA
SCHEMBL1605782 0.82 TBXAS1 (0.45) TBXAS1CYP11B2CYP11B1CYP17A1MAOA
SCHEMBL1606237 0.82 TBXAS1 (0.45) TBXAS1CYP11B2CYP11B1CYP17A1MAOA
SCHEMBL1606655 0.82 TBXAS1 (0.48) TBXAS1CYP11B2CYP11B1CYP17A1MAOA
SCHEMBL1606090 0.82 AR (0.49) TBXAS1CYP11B2CYP11B1AR
SCHEMBL1605653 0.82 TBXAS1 (0.44) TBXAS1CYP11B2CYP11B1CYP17A1MAOA
SCHEMBL1605499 0.80 SLC2A1 (0.44) TBXAS1CYP11B2CYP11B1ARCYP19A1
SCHEMBL1606008 0.79 CYP11B2 (0.52) TBXAS1CYP11B2CYP11B1MAOAAR
SCHEMBL1605113 0.79 TBXAS1 (0.48) TBXAS1CYP11B2CYP11B1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 WO 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885CYP11B2 13/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1987/4885CYP11B2 13/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885CYP11B2 12/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 TBXAS1 1766/4885CYP11B2 12/4885CYP11B1 15/4885

“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.