SCHEMBL4489875

SCHEMBL4489875

CNS(=O)(=O)c1cnn2c(NC(C)C(C)(C)C)c(-c3ccc(F)cc3Cl)c(Cl)nc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.32
ALOX5AP P20292 2/20 0.30
FEN1 P39748 2/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL4507666 0.84 GSK3B (0.36) SCN10A
SCHEMBL4692686 0.84 SCN10A (0.31) SCN10A
SCHEMBL4499049 0.82 SCN10A (0.33) SCN10A
SCHEMBL13606351 0.82 JAK2 (0.43) SCN10A
SCHEMBL4690562 0.82 CDK2 (0.42)
SCHEMBL13606354 0.81 ALDH1A1 (0.37) SCN10A
SCHEMBL13606352 0.80 SCN10A (0.31) SCN10A
SCHEMBL13606357 0.79 JAK2 (0.35) SCN10A
SCHEMBL13606388 0.79 CRHR1 (0.31)
SCHEMBL13606353 0.78 ADRA1A (0.32) SCN10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
EP-1718652-A2 PYRAZOLOPYRIMIDINES FOR COMBATTING UNWANTED MICROORGANISMS Bayer CropScience Aktiengesellschaft (DE) 2006-11-08 EP disclosed
WO-2005082907-A2 PYRAZOLOPYRIMIDINES FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2005-09-09 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 US 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-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 ADAM17 4736/4885ALOX5AP 2078/4885FEN1 1998/4885

“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.