SCHEMBL7940338

SCHEMBL7940338

Cc1c(-c2cccnc2)n(Cc2ccc(C#N)c(F)c2)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 8/20 0.49
TBXAS1 P24557 4/20 0.48
CYP11B1 P15538 5/20 0.41
KCNH2 Q12809 1/20 0.41
AR P10275 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
GRM2 Q14416 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
MAOA P21397 1/20 0.39
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL1605385 0.83 CYP11B2 (0.55) CYP11B2TBXAS1CYP11B1ARMAOA
SCHEMBL1605798 0.83 TBXAS1 (0.48) CYP11B2TBXAS1CYP11B1ARMAOA
SCHEMBL1605560 0.82 CYP11B2 (0.52) CYP11B2TBXAS1CYP11B1ARHSD17B10
SCHEMBL1606366 0.80 CYP11B2 (0.63) CYP11B2TBXAS1HSD17B10ESR1
SCHEMBL1606044 0.80 CYP11B2 (0.49) CYP11B2TBXAS1CYP11B1KCNH2AR
SCHEMBL1604919 0.77 CYP11B2 (0.49) CYP11B2TBXAS1CYP11B1ARMAOA
SCHEMBL1604835 0.75 GRIN1 (0.48) CYP11B2CYP11B1KCNH2ARMAOA
SCHEMBL1605498 0.75 TBXAS1 (0.54) CYP11B2TBXAS1ESR1
SCHEMBL11015008 0.75 TBXAS1 (0.62) CYP11B2TBXAS1ESR1
SCHEMBL30385577 0.75 TBXAS1 (0.54) CYP11B2TBXAS1ESR1

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 CYP11B2 13/4885TBXAS1 1987/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885TBXAS1 1987/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885TBXAS1 1766/4885CYP11B1 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.