Sugi Predict

Sugi Predict / Compounds / SCHEMBL1126072

SCHEMBL1126072

SCHEMBL1126072

COc1cc(OC)cc(-c2ccc(C#N)c3ncc(O)nc23)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ FGFR1 P11362 2/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GLA P06280 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ AR P10275 1/20 0.35

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
SCHEMBL14212770 0.93 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL1126354 0.86 CYP11B1 (0.40) CYP11B1CYP11B2FGFR1KDM4EMEN1
SCHEMBL1126494 0.85 CYP11B2 (0.39) CYP11B1CYP11B2FGFR1KDM4EMEN1
SCHEMBL1126023 0.81 CYP11B1 (0.41) CYP11B1CYP11B2ABL1ABCB1BCR
SCHEMBL1126518 0.81 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL13626930 0.81 ABL1 (0.42) FGFR1ABL1ABCB1BCRMEN1
SCHEMBL1126107 0.81 FGFR1 (0.39) FGFR1ABL1ABCB1BCRKDM4E
SCHEMBL14212759 0.81 CYP11B1 (0.38) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL14212768 0.79 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EMEN1KMT2A
SCHEMBL13626931 0.78 ABL1 (0.42) FGFR1ABL1ABCB1BCRMEN1

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
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 — — EP disclosed
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 — — EP disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 — — US disclosed
US-8815901-B2 Quinoline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-08-26 — — US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 — — US disclosed
US-8674099-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2014-03-18 — — US disclosed
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2013-12-05 — — US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 — — US disclosed
US-8536175-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-09-17 — — US disclosed
CN-102036963-B Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2013-08-21 — — CN disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 — — US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 — — US disclosed
US-8273882-B2 Quinoxaline carboxamide derivatives as protein tyrosine kinase inhibitors NOVARTIS AG (CH) 2012-09-25 — — US disclosed
CN-102036963-A Derivatives of quinolines and quinoxalines as protein tyrosine kinase inhibitors NOVARTIS AG 2011-04-27 — — CN disclosed
EP-2282995-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 — — EP disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 — — US disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 — — US disclosed
US-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives NOVARTIS AG 2010-04-29 — — US disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 — — WO disclosed
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 — — 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 (2 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-20100105667-A1 Quinoxaline- and Quinoline-Carboxamide Derivatives ABL1, NQO2, MAP4K5 CYP11B1 510/4885CYP11B2 366/4885FGFR1 750/4885
US-20130324519-A1 QUINOXALINE CARBOXAMIDE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS ABL1, BTK, PDXK CYP11B1 1166/4885CYP11B2 1192/4885FGFR1 356/4885

“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.