SCHEMBL2581385

SCHEMBL2581385

Nc1nc(N[C@@H]2CCCc3ccccc32)ncc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
LMNA P02545 1/20 0.45
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KCNN3 Q9UGI6 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
DHFR P00374 1/20 0.42
ULK1 O75385 2/20 0.41
PFKFB3 Q16875 2/20 0.41
CDK1 P06493 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 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
SCHEMBL2569953 0.82 LMNA (0.45) LMNAHDAC6KCNN3ADRA2AADRA2B
SCHEMBL2570647 0.80 HDAC6 (0.46) IGF1RLMNAHDAC6KCNN3ADRA2A
SCHEMBL23804868 0.79 ULK1 (0.39) IGF1RCDK7CCNHMNAT1CCNE1
SCHEMBL14208456 0.77 DHFR (0.53) IGF1RLMNAHDAC6KCNN3ADRA2A
SCHEMBL23804859 0.77 CCNK (0.38) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL18425323 0.76 ULK1 (0.39) CCNE1CDK2ULK1
SCHEMBL23804863 0.76 CCNK (0.38) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL1552289 0.76 LMNA (0.51) IGF1RLMNAHDAC6KCNN3ADRA2A
SCHEMBL3205734 0.76 LMNA (0.51) IGF1RLMNAHDAC6KCNN3ADRA2A
SCHEMBL1551936 0.76 LMNA (0.51) IGF1RLMNAHDAC6KCNN3ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384321-B1 PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2014-08-27 EP disclosed
US-8329717-B2 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2012-12-11 US disclosed
EP-2384321-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH Bayer CropScience AG (DE) 2011-11-09 EP disclosed
EP-2210879-A1 Pyrimidine derivatives and use thereof for combating undesired plant growth Bayer CropScience AG (DE) 2010-07-28 EP disclosed
WO-2010076010-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-07-08 WO disclosed
US-20100167934-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-20100167934-A1 PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH TYMS, TYMP, UMPS IGF1R 3783/4885LMNA 3961/4885CDK7 424/4885

“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.