SCHEMBL1606799

SCHEMBL1606799

Cn1c(-c2cncc(C(=O)N3Cc4ccccc4C3=O)c2)c(C#N)c2ccc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.53
CYP11B1 P15538 3/20 0.53
MAOA P21397 1/20 0.53
CYP19A1 P11511 1/20 0.48
BRD4 O60885 5/20 0.39
NTRK1 P04629 1/20 0.37
BRD2 P25440 2/20 0.36
HSD17B3 P37058 2/20 0.35
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KCNN4 O15554 1/20 0.32
KCNA3 P22001 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL1606006 0.91 CYP11B2 (0.49) CYP11B2CYP11B1MAOACYP19A1BRD4
SCHEMBL1605831 0.79 CYP11B2 (0.65) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL3678336 0.78 CYP11B2 (0.64) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606796 0.75 CYP11B2 (0.62) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606406 0.74 CYP11B2 (0.58) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1605285 0.72 CYP11B2 (0.72) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL3680547 0.71 CYP11B2 (0.62) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606814 0.71 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606810 0.71 CYP11B2 (1.00) CYP11B2CYP11B1MAOACYP19A1NTRK1
SCHEMBL1606125 0.71 CYP11B2 (0.67) CYP11B2CYP11B1MAOACYP19A1NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307371-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2017-10-04 EP 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-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-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
CN-102076665-A Organic compounds NOVARTIS AG 2011-05-25 CN 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

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 13/4885CYP11B1 14/4885MAOA 193/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885CYP11B1 14/4885MAOA 193/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885CYP11B1 15/4885MAOA 198/4885

“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.