SCHEMBL1551232

SCHEMBL1551232

C[C@@H]1CCc2ccccc2[C@@H]1Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
TAS1R2 Q8TE23 4/20 0.39
TSHR P16473 1/20 0.34
ADORA2A P29274 1/20 0.34
PDPK1 O15530 1/20 0.33
DHFR P00374 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL1552304 1.00 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2TSHRADORA2A
SCHEMBL1551773 1.00 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2TSHRADORA2A
SCHEMBL1552567 0.90 TSHR (0.35) TSHRLMNAMAPT
SCHEMBL1552278 0.90 TSHR (0.35) TSHRLMNAMAPT
SCHEMBL1551812 0.90 TSHR (0.35) TSHRLMNAMAPT
SCHEMBL5442927 0.90 TSHR (0.35) TSHRLMNAMAPT
SCHEMBL1552565 0.90 TSHR (0.35) TSHRLMNAMAPT
SCHEMBL1552285 0.86 PDPK1 (0.43) ADORA2APDPK1
SCHEMBL1551689 0.86 PDPK1 (0.43) ADORA2APDPK1
SCHEMBL1551887 0.86 LMNA (0.32) 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 3 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-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 TAS1R3 4770/4885TAS1R1 4695/4885TAS1R2 4623/4885

“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.