SCHEMBL1552565

SCHEMBL1552565

C[C@@H]1Cc2ccccc2[C@@H]1Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL1551812 1.00 TSHR (0.35) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL1552278 1.00 TSHR (0.35) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL1552567 1.00 TSHR (0.35) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL5442927 1.00 TSHR (0.35) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL1551232 0.90 TAS1R3 (0.39) TSHRLMNAMAPT
SCHEMBL1551773 0.90 TAS1R3 (0.39) TSHRLMNAMAPT
SCHEMBL1552304 0.90 TAS1R3 (0.39) TSHRLMNAMAPT
SCHEMBL1552319 0.85 KCNH2 (0.33) TSHRLMNAMAPT
SCHEMBL1552303 0.85 HTR1A (0.34) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL1551921 0.85 KCNH2 (0.33) TSHRLMNAMAPT

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-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
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 (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-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 TSHR 2426/4885LMNA 4673/4885MAPT 1576/4885

“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.