SCHEMBL1551936

SCHEMBL1551936

Nc1ncnc(N[C@@H]2CCCc3ccccc32)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49
KCNN3 Q9UGI6 1/20 0.49
AURKA O14965 2/20 0.48
RPS6KB1 P23443 2/20 0.48
AURKB Q96GD4 1/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
ADRA1A P35348 2/20 0.48
IGF1R P08069 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
DHFR P00374 1/20 0.43
PFKFB3 Q16875 3/20 0.42

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
SCHEMBL3205734 1.00 LMNA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL1552289 1.00 LMNA (0.51) LMNAHDAC6KCNN3AURKARPS6KB1
SCHEMBL1552272 0.92 AURKA (0.46) LMNAAURKARPS6KB1ADRA2BADRA2C
SCHEMBL1552270 0.92 AURKA (0.46) LMNAAURKARPS6KB1ADRA2BADRA2C
SCHEMBL1551238 0.92 AURKA (0.46) LMNAAURKARPS6KB1ADRA2BADRA2C
SCHEMBL11960178 0.83 RAB9A (0.43) LMNAIGF1RMEN1KMT2APFKFB3
SCHEMBL11960134 0.83 RAB9A (0.43) LMNAIGF1RMEN1KMT2APFKFB3
SCHEMBL5324501 0.82 AURKA (0.52) LMNAAURKARPS6KB1AURKBMEN1
SCHEMBL21524773 0.81 PFKFB3 (0.52) LMNAHDAC6KCNN3ADRA2AADRA2B
SCHEMBL21821538 0.79 LMNA (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP disclosed
US-20070293399-A1 SUBSTITUTED DIAMINO-1,3,5-TRIAZINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND CROP GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-12-20 US disclosed
EP-1854355-A1 Aqueous suspension concentrates Bayer CropScience AG (DE) 2007-11-14 EP disclosed
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-09-20 US disclosed
US-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-05-31 US disclosed
EP-1790227-A1 Aqueous suspension-concentrates of 2,4-diamino-s-triazine herbicides Bayer CropScience AG (DE) 2007-05-30 EP 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-20070293399-A1 SUBSTITUTED DIAMINO-1,3,5-TRIAZINES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND CROP GROWTH REGULATORS DDT, CCND2, CCNB3 LMNA 3911/4885HDAC6 2832/4885KCNN3 2381/4885
US-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES ASH2L, SPATS2L, AS3MT LMNA 4624/4885HDAC6 2426/4885KCNN3 2331/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 LMNA 4673/4885HDAC6 3446/4885KCNN3 1335/4885

“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.