SCHEMBL2569953

SCHEMBL2569953

Nc1ncc(C(F)(F)F)c(N[C@@H]2CCCc3ccccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
KCNN3 Q9UGI6 1/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
AURKB Q96GD4 1/20 0.44
GBA1 P04062 1/20 0.44
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
GLP1R P43220 1/20 0.42
DHFR P00374 1/20 0.42
ULK1 O75385 2/20 0.42
PFKFB3 Q16875 2/20 0.41
CDK1 P06493 1/20 0.40

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
SCHEMBL2581385 0.82 IGF1R (0.46) LMNAHDAC6KCNN3ADRA2AADRA2B
SCHEMBL18425012 0.76 ULK1 (0.39) ULK1
SCHEMBL22524371 0.75 IRAK4 (0.52) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL22524333 0.75 IRAK4 (0.52) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL22524356 0.75 IRAK4 (0.52) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL1551936 0.73 LMNA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL1552289 0.73 LMNA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL3205734 0.73 LMNA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL22872938 0.73 GBA1 (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL24453716 0.73 AURKA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384322-B1 PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2014-08-27 EP disclosed
US-8445408-B2 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2013-05-21 US disclosed
CN-102272107-A Pyrimidine derivatives and their use for combating undesired vegetation 2011-12-07 CN disclosed
EP-2384322-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH Bayer CropScience AG (DE) 2011-11-09 EP disclosed
EP-2206703-A1 Pyrimidine derivatives and use thereof for combating undesired plant growth Bayer CropScience AG (DE) 2010-07-14 EP disclosed
WO-2010076009-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-07-08 WO disclosed
US-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2010-07-01 US 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-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth TYMS, TYMP, UMPS LMNA 3792/4885HDAC6 4135/4885KCNN3 4740/4885

“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.