SCHEMBL17110657

SCHEMBL17110657

CCCOc1[c]c(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL17164312 0.91 GLA (0.33) HTT
SCHEMBL17110633 0.84 L3MBTL1 (0.32)
SCHEMBL17164322 0.76 ALDH1A1 (0.36) ALDH1A1GAA
SCHEMBL17110524 0.74
SCHEMBL17110508 0.73 LTA4H (0.32) KDM4EMEN1USP2ALDH1A1TP53
SCHEMBL5345536 0.73
SCHEMBL17164215 0.72 HTR2C (0.37) MAPTHTR2CHTR2BHTR2A
SCHEMBL17110593 0.72
SCHEMBL17164195 0.72 POLB (0.33) POLB
SCHEMBL17164078 0.70 PARP10 (0.36) HTR2CHTR2BHTR2A

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-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP claimed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US claimed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO claimed
US-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-04-13 US disclosed
EP-3129358-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 EP disclosed
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides BASF SE (DE) 2017-02-02 US disclosed
EP-3122736-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-01 EP disclosed
WO-2015155271-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 WO disclosed
WO-2015155129-A1 DIAMINOTRIAZINE COMPOUND BASF SE (DE) 2015-10-15 WO disclosed
WO-2015144881-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-01 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 (2 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-20170101383-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DRD3, CBR3, ATL3 KDM4E 1822/4885MEN1 4490/4885USP2 2891/4885
US-20170029383-A1 Diaminotriazine Derivatives as Herbicides DDT, CBR3, HDHD5 KDM4E 4367/4885MEN1 3912/4885USP2 1394/4885

“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.