SCHEMBL3685276

SCHEMBL3685276

Cn1c(-c2cncc(N)c2)c(C#N)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.68
CYP11B1 P15538 3/20 0.52
MAOA P21397 1/20 0.52
EGFR P00533 1/20 0.46
SRC P12931 1/20 0.46
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM1A O60341 1/20 0.40
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3683231 0.85 CYP11B2 (0.53) CYP11B2CYP11B1MAOACYP19A1ALDH1A1
SCHEMBL1605235 0.85 CYP11B2 (0.68) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1606066 0.85 CYP11B2 (0.68) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1606052 0.84 CYP11B2 (0.64) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1606814 0.84 CYP11B2 (0.71) CYP11B2CYP11B1MAOACYP19A1ALDH1A1
SCHEMBL1605747 0.82 CYP11B2 (0.65) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1605856 0.82 CYP11B2 (0.70) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL3674058 0.82 CYP11B2 (0.61) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1606735 0.81 CYP11B2 (0.64) CYP11B2CYP11B1MAOAEGFRSRC
SCHEMBL1605877 0.81 CYP11B2 (0.64) CYP11B2CYP11B1MAOAEGFRSRC

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.