SCHEMBL1551887

SCHEMBL1551887

Cc1ccc2c(c1)CC[C@@H](C)C2Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
SRD5A1 P18405 2/20 0.30
SLC6A4 P31645 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
SCHEMBL3205862 1.00 LMNA (0.32) LMNAMAPTHTR1AHTR2AHTR7
SCHEMBL1551748 1.00 LMNA (0.32) LMNAMAPTHTR1AHTR2AHTR7
SCHEMBL1551232 0.86 TAS1R3 (0.39) LMNAMAPT
SCHEMBL1552304 0.86 TAS1R3 (0.39) LMNAMAPT
SCHEMBL1551773 0.86 TAS1R3 (0.39) LMNAMAPT
SCHEMBL1552530 0.84 HTR1A (0.34) LMNAMAPTHTR1AHTR2AHTR7
SCHEMBL1552292 0.84 HTR1A (0.34) LMNAMAPTHTR1AHTR2AHTR7
SCHEMBL1552303 0.84 HTR1A (0.34) LMNAMAPTHTR1AHTR2AHTR7
SCHEMBL1551293 0.83 PFKFB3 (0.39) LMNAMAPT
SCHEMBL5428899 0.83 PFKFB3 (0.39) LMNAMAPT

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 5 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
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 (2 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 LMNA 4624/4885MAPT 685/4885HTR1A 1980/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 LMNA 4673/4885MAPT 1576/4885HTR1A 1236/4885

“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.