SCHEMBL66426

SCHEMBL66426

O=C(Nc1cc(C(F)(F)F)ccn1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 1/20 0.55
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDR P35968 1/20 0.47
CLK2 P49760 1/20 0.47
IRAK1 P51617 1/20 0.47
NEK4 P51957 1/20 0.47
MAP4K2 Q12851 1/20 0.47
HIPK4 Q8NE63 1/20 0.47
SRPK1 Q96SB4 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP3K20 Q9NYL2 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
GRM5 P41594 1/20 0.47
NR3C2 P08235 1/20 0.45
FAAH O00519 1/20 0.45
TRPV1 Q8NER1 1/20 0.45

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
SCHEMBL15553043 0.90 KDR (0.47) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL59392 0.86 GCK (0.47) RIOK2ALDH1A1GAAL3MBTL1NR3C2
SCHEMBL24220349 0.86 KDR (0.47) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL24220353 0.85 KDR (0.47) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL16676830 0.84 RIOK2 (0.49) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL24220350 0.84 KDR (0.51) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL16637730 0.83 RAB9A (0.46) RIOK2ALDH1A1GAAL3MBTL1KDR
SCHEMBL23213791 0.83 BRAF (0.49) RIOK2KDRGCKPORCN
SCHEMBL60181 0.80 RAB9A (0.63) ALDH1A1GAAFAAHTRPV1
SCHEMBL30782658 0.80 RAB9A (0.63) ALDH1A1GAAFAAHTRPV1

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 67 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
EP-3054773-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-01-26 EP disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-10301295-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-28 US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
US-20190112288-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-04-18 US disclosed
EP-3060558-B1 PYRIDINYLIMIDAZOLONES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-12 EP disclosed
US-10053430-B2 RAF kinase modulator compounds and methods of use thereof AMBIT BIOSCIENCES CORP. (US) 2018-08-21 US disclosed
US-20180092358-A1 HERBICIDAL MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-05 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis BAYER HEALTHCARE LLC 2010-03-11 US disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 US disclosed
WO-2009117080-A1 QUINAZOLINE DERIVATIVES AS RAF KINASE MODULATORS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATON (US) 2009-09-24 WO disclosed
CN-101365454-A Substituted 4-amino-pyrrolotriazine derivatives for the treatment of hyperproliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2009-02-11 CN disclosed
CN-1993361-A Pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER PHARMACEUTICALS CORP (US) 2007-07-04 CN disclosed
WO-2007064883-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-10053430-B2 RAF kinase modulator compounds and methods of use thereof BRAF, RAF1, ARAF RIOK2 453/4885ALDH1A1 2803/4885GAA 2536/4885
US-20190112288-A1 HERBICIDAL COMPOUNDS DDT, RDX, CBR3 RIOK2 970/4885ALDH1A1 229/4885GAA 1539/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS RIOK2 2671/4885ALDH1A1 201/4885GAA 985/4885
US-20100063038-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis CDK4, CDKL4, MKI67 RIOK2 4486/4885ALDH1A1 3327/4885GAA 1758/4885
US-20180092358-A1 HERBICIDAL MIXTURES DDT, CBR3, AS3MT RIOK2 382/4885ALDH1A1 521/4885GAA 2941/4885
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 RIOK2 4441/4885ALDH1A1 3137/4885GAA 1948/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 RIOK2 1535/4885ALDH1A1 2648/4885GAA 4808/4885
US-11608323-B2 Herbicidal compounds DDT, RDX, CBR3 RIOK2 970/4885ALDH1A1 229/4885GAA 1539/4885
US-10301295-B2 Herbicidal compounds DHRS9, DDT, MTX1 RIOK2 872/4885ALDH1A1 141/4885GAA 843/4885

“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.