SCHEMBL5864459

SCHEMBL5864459

CSc1nc(N)nc(C(C)F)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.50
HSP90AA1 P07900 6/20 0.41
NPC1 O15118 2/20 0.31
HTT P42858 2/20 0.31
RAB9A P51151 2/20 0.31
XBP1 P17861 1/20 0.31
PAX8 Q06710 1/20 0.31
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
PTBP1 P26599 1/20 0.30
CYP2C19 P33261 1/20 0.30
TNFSF10 P50591 1/20 0.30

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
SCHEMBL6309389 0.83 HSP90AB1 (0.54) HSP90AB1HSP90AA1NPC1HTTRAB9A
SCHEMBL31192701 0.83 HSP90AB1 (0.54) HSP90AB1HSP90AA1NPC1HTTRAB9A
SCHEMBL31192705 0.83 HSP90AB1 (0.54) HSP90AB1HSP90AA1NPC1HTTRAB9A
SCHEMBL21989883 0.80 HRH4 (0.34) LMNA
SCHEMBL21989882 0.80 HRH4 (0.34) LMNA
SCHEMBL2040597 0.80 HSP90AB1 (0.50) HSP90AB1HSP90AA1NPC1HTTRAB9A
SCHEMBL3631158 0.75 HSP90AB1 (0.71) HSP90AB1HSP90AA1LMNA
SCHEMBL8071682 0.75 HSP90AB1 (0.71) HSP90AB1HSP90AA1
SCHEMBL1086109 0.71 HSP90AA1 (0.33) HSP90AA1
SCHEMBL11034607 0.69 HSP90AB1 (0.39) HSP90AB1HSP90AA1NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110223-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-04-26 US disclosed
US-20180110223-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-04-26 US disclosed
EP-3286170-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2018-02-28 EP disclosed
CN-107567278-A Phenoxy group or the epoxide amino triazine compound of pyridine 2 and its purposes as herbicide 巴斯夫欧洲公司 2018-01-09 CN disclosed
WO-2016169831-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-10-27 WO disclosed
WO-2016169831-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2016-10-27 WO disclosed
US-7002011-B1 Process for the preparation of 2-amino-4-chloro-1,3,5-triazines AVENTIS CROPSCIENCE GMBH (DE) 2006-02-21 US disclosed
EP-1097146-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES Aventis CropScience GmbH (DE) 2001-05-09 EP disclosed
WO-2000002868-A1 METHOD FOR PRODUCING 2-AMINO-4-CHLORO-1, 3, 5-TRIAZINES AVENTIS CROPSCIENCE GMBH (DE) 2000-01-20 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 (1 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-20180110223-A1 PHENOXY- OR PYRIDIN-2-YLOXY-AMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES CBR3, HCAR3, CNPY2 HSP90AB1 3260/4885HSP90AA1 2844/4885NPC1 4655/4885

“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.