SCHEMBL14877441

SCHEMBL14877441

CCCCCc1nnc(N)c(CCCCC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.44
▸ DHFR P00374 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ TLR8 Q9NR97 5/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33

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
SCHEMBL3661591 0.84 GPR84 (0.46) GPR84DHFRALDH1A1TLR8ADORA3
SCHEMBL2364943 0.82 DHFR (0.47) DHFRALDH1A1TLR8MEN1KMT2A
SCHEMBL4949768 0.82 GPR84 (0.47) GPR84DHFRALDH1A1MEN1KMT2A
SCHEMBL6755475 0.77 DHFR (0.45) DHFRALDH1A1TLR8MEN1KMT2A
SCHEMBL254525 0.77 GPR84 (0.44) GPR84DHFRALDH1A1MEN1KMT2A
SCHEMBL13978021 0.73 GPR84 (0.48) GPR84ALDH1A1ADORA3ADORA2AKCNH2
SCHEMBL3664007 0.73 GPR84 (0.44) GPR84ALDH1A1ADORA3ADORA2AMEN1
SCHEMBL6463332 0.71 MEN1 (0.39) GPR84DHFRALDH1A1TLR8ADORA3
SCHEMBL1025561 0.71 DHFR (0.47) DHFRALDH1A1TLR8MEN1KMT2A
SCHEMBL4802103 0.70 DHFR (0.38) GPR84DHFRALDH1A1TLR8ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2019-02-14 — — US disclosed
US-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2018-09-25 — — US disclosed
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2017-05-11 — — US disclosed
US-9573909-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides FMC CORPORATION (US) 2017-02-21 — — US disclosed
EP-3020709-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORPORATION (US) 2016-05-18 — — EP disclosed
EP-2542538-B1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES FMC CORP (US) 2015-12-30 — — EP disclosed
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2015-07-23 — — US disclosed
US-8969554-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2015-03-03 — — US disclosed
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-04-25 — — 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 (5 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-10081608-B2 6-acyl-1,2,4-triazine-3,5-dione derivative and herbicides DDT, AADAC, DAZAP1 GPR84 2933/4885DHFR 361/4885ALDH1A1 144/4885
US-20170129861-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GPR84 2933/4885DHFR 361/4885ALDH1A1 144/4885
US-20150203457-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GPR84 2933/4885DHFR 361/4885ALDH1A1 144/4885
US-20130102468-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES CBR3, DDT, CBR1 GPR84 1752/4885DHFR 234/4885ALDH1A1 272/4885
US-20190047968-A1 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES DDT, AADAC, DAZAP1 GPR84 2933/4885DHFR 361/4885ALDH1A1 144/4885

“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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