SCHEMBL1605239

SCHEMBL1605239

COc1ccncc1-c1c(C#N)c2cc(C#N)ccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 7/20 0.44
▸ KDM1A O60341 2/20 0.40
▸ CYP11B1 P15538 3/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ SCN9A Q15858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHUK O15111 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ GAK O14976 1/20 0.34
▸ RIPK2 O43353 1/20 0.34
▸ COQ8A Q8NI60 1/20 0.34
▸ NLK Q9UBE8 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
SCHEMBL1605480 0.77 CYP11B2 (0.72) CYP11B2CYP11B1MAOA
SCHEMBL1605823 0.77 CYP11B1 (0.43) CYP11B2KDM1ACYP11B1GSK3BALPL
SCHEMBL1605846 0.74 CHUK (0.51) CYP11B2CYP11B1GSK3BCHUKPDE10A
SCHEMBL1605964 0.68 CYP11B2 (0.62) CYP11B2CYP11B1GSK3BMAOAL3MBTL1
SCHEMBL24343875 0.68 CYP11B2 (0.40) CYP11B2CYP11B1MAOAPOLBSMN1; SMN2
SCHEMBL7947528 0.68 CDK5 (0.50) CYP11B2CYP11B1GSK3BCHUKCSNK2A1
SCHEMBL29534909 0.68 CYP11B2 (0.40) CYP11B2CYP11B1MAOAPOLBSMN1; SMN2
SCHEMBL1606489 0.68 CYP11B2 (0.64) CYP11B2CYP11B1GSK3BMAOAL3MBTL1
SCHEMBL6363289 0.66 EGFR (0.46) L3MBTL1
SCHEMBL29858321 0.66 EGFR (0.46) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 CYP11B2 13/4885KDM1A 3385/4885CYP11B1 14/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 13/4885KDM1A 3385/4885CYP11B1 14/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885KDM1A 3490/4885CYP11B1 15/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 CYP11B2 12/4885KDM1A 3490/4885CYP11B1 15/4885

“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.

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