Sugi Predict

Sugi Predict / Compounds / SCHEMBL1606006

SCHEMBL1606006

SCHEMBL1606006

Cn1c(-c2cncc(C(=O)N3Cc4ccccc4C3=O)c2)c(C#N)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.49
▸ CYP11B1 P15538 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ BRD4 O60885 6/20 0.39
▸ BRD2 P25440 2/20 0.39
▸ CYP19A1 P11511 1/20 0.36
▸ EGFR P00533 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL1606799 0.91 CYP11B2 (0.53) CYP11B2CYP11B1MAOABRD4BRD2
SCHEMBL3674058 0.79 CYP11B2 (0.61) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL13122291 0.77 CYP11B2 (0.59) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL1605961 0.74 CYP11B2 (0.59) CYP11B2CYP11B1MAOACYP19A1KDM4E
SCHEMBL30385199 0.74 CYP11B2 (0.59) CYP11B2CYP11B1MAOACYP19A1KDM4E
SCHEMBL1606001 0.72 CYP11B2 (0.59) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL1605235 0.71 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL1606066 0.71 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL3685276 0.71 CYP11B2 (0.68) CYP11B2CYP11B1MAOACYP19A1EGFR
SCHEMBL1605877 0.70 CYP11B2 (0.64) CYP11B2CYP11B1MAOACYP19A1EGFR

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 11 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
CN-104193725-A ORGANIC COMPOUNDS NOVARTIS AG 2014-12-10 — — CN disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 — — US disclosed
CN-102076665-B Organic compounds NOVARTIS AG 2014-09-03 — — CN 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.