SCHEMBL1045951

SCHEMBL1045951

[NH]c1ccc2c(c1)CCC2=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.59
▸ CASP7 P55210 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ HSD17B1 P14061 4/20 0.52
▸ GRM5 P41594 2/20 0.49
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ PBRM1 Q86U86 1/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL8870715 0.78 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL28655414 0.77 HSD17B1 (0.78) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL5538267 0.76 CASP1 (0.61) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL31029247 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL434358 0.74 CASP1 (1.00) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL31108080 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL27039 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL192610 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL16082766 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL883774 0.74 CASP1 (0.59) CASP1CASP7HSD17B10HSD17B1GRM5

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 21 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-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
EP-2268144-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-01-05 — — EP disclosed
WO-2010025863-A2 4-ALKYL-SUBSTITUTED DIAMINOPYRIMIDINES BAYER CROPSCIENCE AG (DE) 2010-03-11 — — WO disclosed
EP-2161259-A1 4-Haloalkyl substituted Diaminopyrimidine Bayer CropScience AG (DE) 2010-03-10 — — EP disclosed
EP-2129222-A1 DIAMINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-09 — — EP disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 — — WO disclosed
WO-2008107096-A1 DIAMINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-12 — — WO 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 CASP1 560/4885CASP7 493/4885HSD17B10 2420/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C CASP1 278/4885CASP7 356/4885HSD17B10 3452/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 CASP1 148/4885CASP7 274/4885HSD17B10 4283/4885

“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.

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