SCHEMBL123322

SCHEMBL123322

CCOC(=O)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 1/20 0.51
IDO1 P14902 1/20 0.49
MAPT P10636 1/20 0.47
TSHR P16473 2/20 0.42
JUN P05412 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
HTT P42858 1/20 0.42
P2RY12 Q9H244 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL30813138 1.00 KDM4E (0.53) KDM4EALDH1A1NPSR1HPGDIDO1
SCHEMBL973413 0.86 ALOX15 (0.45) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL125580 0.84 KDM4E (0.52) KDM4EALDH1A1NPSR1HPGDIDO1
SCHEMBL28912380 0.83 TSHR (0.52) KDM4EALDH1A1NPSR1HPGDMAPT
SCHEMBL125663 0.82 KDM4E (0.53) KDM4EALDH1A1NPSR1HPGDIDO1
SCHEMBL1680890 0.82 MAOA (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL8832375 0.82 BRD4 (0.49) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL27838050 0.81 KDM4E (0.50) KDM4EALDH1A1NPSR1HPGDIDO1
SCHEMBL13312285 0.81 MGLL (0.44) KDM4EALDH1A1JUNNFKB1NFKB2
SCHEMBL3433408 0.81 MGLL (0.43) KDM4EALDH1A1NFKB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-30 US disclosed
US-8461083-B2 Herbicidal compounds SYNGENTA LIMITED (GB) 2013-06-11 US disclosed
EP-2265120-B1 HERBICIDAL COUMPOUNDS SYNGENTA LTD (GB) 2012-03-07 EP disclosed
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
US-20110021352-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-27 US disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 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 (3 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-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF THPO, PTGIS, PYCR1 KDM4E 3564/4885ALDH1A1 1097/4885NPSR1 1393/4885
US-20110021352-A1 HERBICIDAL COMPOUNDS RDX, NQO2, DDT KDM4E 1231/4885ALDH1A1 677/4885NPSR1 683/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B KDM4E 3841/4885ALDH1A1 604/4885NPSR1 1180/4885

“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.