SCHEMBL2635853

SCHEMBL2635853

O=C(O)Nc1cc(C(F)(F)F)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SORT1 Q99523 3/20 0.56
RIOK2 Q9BVS4 1/20 0.54
NR3C2 P08235 2/20 0.50
AR P10275 1/20 0.49
KDR P35968 1/20 0.49
CLK2 P49760 1/20 0.49
IRAK1 P51617 1/20 0.49
NEK4 P51957 1/20 0.49
MAP4K2 Q12851 1/20 0.49
HIPK4 Q8NE63 1/20 0.49
SRPK1 Q96SB4 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
MAP3K20 Q9NYL2 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
EPAS1 Q99814 1/20 0.48

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
SCHEMBL31264157 1.00 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL2640650 0.91 NOS3 (0.63) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL14635931 0.87 KDR (0.49) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL3192275 0.85 L3MBTL1 (0.55) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL30875900 0.85 NR3C2 (0.67) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL5029590 0.85 NR3C2 (0.67) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL4279750 0.83 SORT1 (0.46) ALDH1A1GAAL3MBTL1SORT1RIOK2
SCHEMBL1968503 0.83 ALOX15 (0.60) SORT1RIOK2GRM5BTKALOX15
SCHEMBL2635471 0.83 NR3C2 (0.47) ALDH1A1GAAL3MBTL1SORT1NR3C2
SCHEMBL23060730 0.82 RIOK2 (0.61) ALDH1A1GAAL3MBTL1SORT1RIOK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11608323-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2023-03-21 US disclosed
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
CN-111961033-A Herbicidal compounds 先正达参股股份有限公司 2020-11-20 CN disclosed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
US-20160264547-A1 Herbicidal Compounds SYNGENTA PARTICIPATIONS AG (CH) 2016-09-15 US disclosed
EP-3054773-A1 HERBICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-08-17 EP disclosed
WO-2015052076-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-04-16 WO disclosed
EP-1957077-B1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2014-01-22 EP disclosed
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2013-08-29 US disclosed
WO-2007064931-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2007-06-07 WO disclosed
EP-1765823-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
CN-1917880-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
CN-1917879-A Pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2007-02-21 CN disclosed
WO-2007004749-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 WO disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005121147-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-22 WO disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 ALDH1A1 229/4885GAA 1539/4885L3MBTL1 2657/4885
US-20130225809-A1 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS MKI67, TK2, CDK4 ALDH1A1 3300/4885GAA 1572/4885L3MBTL1 4182/4885
US-20160264547-A1 Herbicidal Compounds DDT, RDX, CBR3 ALDH1A1 201/4885GAA 1666/4885L3MBTL1 2931/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 ALDH1A1 229/4885GAA 1539/4885L3MBTL1 2657/4885

“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.