SCHEMBL1606090

SCHEMBL1606090

Cc1c(-c2cccnc2)n(Cc2ccc(C(=O)O)cc2)c2ccc(C#N)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.49
TBXAS1 P24557 3/20 0.46
PPARG P37231 6/20 0.46
PTGES2 Q9H7Z7 1/20 0.44
SLC2A1 P11166 1/20 0.42
SLC2A3 P11169 1/20 0.42
SLC2A4 P14672 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
RARG P13631 1/20 0.41
MMP13 P45452 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1605499 0.90 SLC2A1 (0.44) ARTBXAS1PPARGPTGES2SLC2A1
SCHEMBL1606572 0.87 PTGES2 (0.52) TBXAS1PPARGPTGES2MKNK1MKNK2
SCHEMBL1605597 0.87 PTGES2 (0.49) TBXAS1PPARGPTGES2PTGDR2CYP11B2
Hydrochloric Acid SCHEMBL11006604 0.87 PTGES2 (0.51) TBXAS1PPARGPTGES2MKNK1MKNK2
SCHEMBL1605113 0.85 TBXAS1 (0.48) TBXAS1CYP11B1CYP11B2
SCHEMBL11015008 0.85 TBXAS1 (0.62) TBXAS1PPARGMKNK1MKNK2HDAC6
SCHEMBL1606008 0.83 CYP11B2 (0.52) ARTBXAS1PTGES2CYP11B1CYP11B2
SCHEMBL7950187 0.82 TBXAS1 (0.47) ARTBXAS1CYP11B1CYP11B2
SCHEMBL1605604 0.82 TBXAS1 (0.48) TBXAS1PPARGPTGES2MKNK1MKNK2
SCHEMBL1605952 0.81 CYP11B2 (0.50) TBXAS1PPARGPTGES2PTGDR2MKNK1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US claimed
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-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-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-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
EP-2307371-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-04-13 EP 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-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
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
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 AR 1445/4885TBXAS1 1987/4885PPARG 715/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 AR 1445/4885TBXAS1 1987/4885PPARG 715/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 AR 862/4885TBXAS1 1766/4885PPARG 748/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 AR 862/4885TBXAS1 1766/4885PPARG 748/4885

“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.