SCHEMBL993766

SCHEMBL993766

[NH]c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.40
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31
NOTUM Q6P988 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CG P48736 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL10451126 0.86 CTNNB1 (0.41) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL316417 0.73 AHR (0.50) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL397438 0.73 MAPT (0.55) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL6208612 0.73 KIF11 (0.40) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL13962152 0.73 KIF11 (0.40) KIF11CTNNB1WNT3ANOTUMPIK3CA
SCHEMBL1765169 0.73 CYP3A4 (0.45) KIF11CTNNB1WNT3A
SCHEMBL423132 0.73 KIF11 (0.40) KIF11
SCHEMBL6442096 0.73 AHR (0.50) KIF11
SCHEMBL6600310 0.70 CETP (0.39) KIF11CTNNB1WNT3A
SCHEMBL848935 0.69 ALOX5 (0.38) KIF11CTNNB1WNT3A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US claimed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 EP claimed
US-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-04-01 US claimed
WO-2010025871-A1 4-HALOGEN ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES FOR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 EP claimed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 EP claimed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO claimed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 WO claimed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 US disclosed
EP-2330904-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 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-20100081679-A1 DIAMINOPYRIMIDINES AS FUNGICIDES PM20D2, DDT, DDX41 KIF11 3373/4885CTNNB1 4655/4885WNT3A 4814/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C KIF11 4028/4885CTNNB1 4213/4885WNT3A 4147/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 KIF11 4267/4885CTNNB1 3824/4885WNT3A 4526/4885

“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.