SCHEMBL1552313

SCHEMBL1552313

Cc1cc2c(cc1F)CC[C@@H]2Nc1ncnc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MKNK1 Q9BUB5 6/20 0.32
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
BCL6 P41182 1/20 0.31
EGFR P00533 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
SCHEMBL1552309 1.00 KDM4E (0.38) KDM4EGAAL3MBTL1HTTMAPK1
SCHEMBL5436950 1.00 KDM4E (0.38) KDM4EGAAL3MBTL1HTTMAPK1
SCHEMBL1552577 0.90 KDM4E (0.44) KDM4EGAAL3MBTL1HTTSMN1; SMN2
SCHEMBL1552576 0.90 KDM4E (0.44) KDM4EGAAL3MBTL1HTTSMN1; SMN2
SCHEMBL11960089 0.90 KDM4E (0.44) KDM4EGAAL3MBTL1HTTSMN1; SMN2
SCHEMBL11960149 0.84 HDAC6 (0.33) HDAC6BACE1BACE2
SCHEMBL11960097 0.84 HDAC6 (0.33) HDAC6BACE1BACE2
SCHEMBL1551809 0.81 RAB9A (0.45) KDM4EGAAL3MBTL1HTTSMN1; SMN2
SCHEMBL1552560 0.81 SMN1; SMN2 (0.45) KDM4EGAAL3MBTL1MAPK1SMN1; SMN2
SCHEMBL1552534 0.81 SMN1; SMN2 (0.45) KDM4EGAAL3MBTL1MAPK1SMN1; SMN2

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 KDM4E 1181/4885GAA 3343/4885L3MBTL1 4057/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 KDM4E 2316/4885GAA 810/4885L3MBTL1 1828/4885
US-20100048400-A1 HERBICIDE COMBINATION DDT, DRD1, DRD2 KDM4E 4476/4885GAA 1848/4885L3MBTL1 300/4885

“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.