Sugi Predict

Sugi Predict / Compounds / SCHEMBL2106653

SCHEMBL2106653

SCHEMBL2106653

CC(C)(C)[Si](C)(C)Oc1ccc(N)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.51
▸ CA1 P00915 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ NR4A1 P22736 1/20 0.48
▸ PREP P48147 4/20 0.40
▸ TDP1 Q9NUW8 4/20 0.35
▸ THRB P10828 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALOX5AP P20292 2/20 0.33
▸ FEN1 P39748 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RECQL P46063 1/20 0.32

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
SCHEMBL6371459 0.87 CA12 (0.47) CA12CA1CA9NR4A1PREP
SCHEMBL30629801 0.85 CA12 (0.46) CA12CA1CA9NR4A1PREP
SCHEMBL5239641 0.85 CA12 (0.46) CA12CA1CA9NR4A1PREP
SCHEMBL16071166 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP
SCHEMBL16078680 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP
SCHEMBL24455832 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP
SCHEMBL21552157 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP
SCHEMBL29653234 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP
SCHEMBL5239636 0.84 CA12 (0.49) CA12CA1CA9NR4A1PREP
SCHEMBL31401810 0.84 CA12 (0.45) CA12CA1CA9NR4A1PREP

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 — — US disclosed
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2020-03-03 — — US disclosed
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-01-03 — — US disclosed
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2019-01-03 — — US disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 — — EP disclosed
EP-3124472-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2018-07-25 — — EP disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 — — US disclosed
US-9895376-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2018-02-20 — — US disclosed
EP-3124472-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BeiGene, Ltd. (KY) 2017-02-01 — — EP disclosed
US-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2016-07-21 — — US disclosed
EP-2797888-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2016-06-08 — — EP disclosed
US-9273046-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2016-03-01 — — US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 — — US disclosed
EP-2797888-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BeiGene, Ltd. (KY) 2014-11-05 — — EP disclosed
US-20140088306-A1 RADIOACTIVE FLUORINE-LABELED QUINOXALINE COMPOUND NIHON MEDI-PHYSICS CO., LTD. (JP) 2014-03-27 — — US disclosed
EP-2711026-A1 Radioactive fluorine-labeled quinoxaline compound Kyoto University (JP) 2014-03-26 — — EP disclosed
WO-2013097224-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 — — WO disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 — — US disclosed
EP-1910366-B1 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2011-08-24 — — EP disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 — — 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 (6 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-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CA12 3764/4885CA1 3462/4885CA9 2428/4885
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR CA12 3717/4885CA1 1336/4885CA9 1662/4885
US-20140088306-A1 RADIOACTIVE FLUORINE-LABELED QUINOXALINE COMPOUND APP, PSEN1, APBA1 CA12 1530/4885CA1 1009/4885CA9 1545/4885
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CA12 3764/4885CA1 3462/4885CA9 2428/4885
US-20190000857-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CA12 3773/4885CA1 3409/4885CA9 2301/4885
US-10576087-B2 Fused tricyclic compounds as Raf kinase inhibitors BRAF, RAF1, ARAF CA12 3764/4885CA1 3462/4885CA9 2428/4885

“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.