SCHEMBL3683231

SCHEMBL3683231

Cc1ccc2c(C#N)c(-c3cncc(N)c3)n(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 9/20 0.53
CYP11B1 P15538 3/20 0.53
MAOA P21397 2/20 0.53
CYP19A1 P11511 1/20 0.47
KDM1A O60341 1/20 0.39
DYRK1A Q13627 1/20 0.38
IRAK4 Q9NWZ3 5/20 0.38
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.34
KDR P35968 1/20 0.34
AURKB Q96GD4 1/20 0.34

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
SCHEMBL1606814 0.87 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1KDM1A
SCHEMBL3685276 0.85 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1KDM1A
SCHEMBL1605285 0.78 CYP11B2 (0.72) CYP11B2CYP11B1MAOACYP19A1ALDH1A1
SCHEMBL1605339 0.77 CYP11B2 (0.80) CYP11B2CYP11B1MAOACYP19A1ALDH1A1
SCHEMBL1606215 0.72 CYP11B2 (0.69) CYP11B2CYP11B1MAOACYP19A1
SCHEMBL3683229 0.71 CYP11B2 (0.41) CYP11B2CYP11B1MAOACYP19A1KDM1A
SCHEMBL1605324 0.71 CYP11B2 (0.65) CYP11B2CYP11B1MAOACYP19A1DYRK1A
SCHEMBL3678336 0.71 CYP11B2 (0.64) CYP11B2CYP11B1MAOACYP19A1KDM1A
SCHEMBL1605235 0.70 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1ALDH1A1
SCHEMBL1606066 0.70 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1ALDH1A1

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 7 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-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 (3 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-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.