SCHEMBL1552270

SCHEMBL1552270

Nc1ncnc(NC2CCc3ccccc32)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
PDPK1 O15530 1/20 0.46
EGFR P00533 1/20 0.46
PRKCQ Q04759 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
IGF1R P08069 1/20 0.44
BCL6 P41182 1/20 0.44
FADS1 O60427 1/20 0.44
IDH1 O75874 2/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
ADRA2B P18089 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
SCHEMBL1552272 1.00 AURKA (0.46) AURKARPS6KB1PDPK1EGFRPRKCQ
SCHEMBL1551238 1.00 AURKA (0.46) AURKARPS6KB1PDPK1EGFRPRKCQ
SCHEMBL1551936 0.92 LMNA (0.51) AURKARPS6KB1IGF1RLMNAADRA2B
SCHEMBL1552289 0.92 LMNA (0.51) AURKARPS6KB1IGF1RLMNAADRA2B
SCHEMBL3205734 0.92 LMNA (0.51) AURKARPS6KB1IGF1RLMNAADRA2B
SCHEMBL27783592 0.83 FADS1 (0.50) AURKARPS6KB1PDPK1EGFRPRKCQ
SCHEMBL1551184 0.83 TAS1R3 (0.43) AURKARPS6KB1PDPK1EGFRBCL6
SCHEMBL1552539 0.83 TAS1R3 (0.43) AURKARPS6KB1PDPK1EGFRBCL6
SCHEMBL1552533 0.83 TAS1R3 (0.43) AURKARPS6KB1PDPK1EGFRBCL6
SCHEMBL1551697 0.82 RAB9A (0.45) EGFRJAK2JAK3IGF1RBCL6

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-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP disclosed
US-20100048400-A1 HERBICIDE COMBINATION BAYER CROPSCIENCE AG (DE) 2010-02-25 US disclosed
EP-1958509-A1 Herbicide combination Bayer CropScience AG (DE) 2008-08-20 EP 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-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES ASH2L, SPATS2L, AS3MT AURKA 1016/4885RPS6KB1 4854/4885PDPK1 4259/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 AURKA 1349/4885RPS6KB1 4684/4885PDPK1 3136/4885
US-20100048400-A1 HERBICIDE COMBINATION DDT, DRD1, DRD2 AURKA 4435/4885RPS6KB1 1565/4885PDPK1 4173/4885

“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.