SCHEMBL4223674

SCHEMBL4223674

O=c1[nH]c(-c2cc(Cl)cc(Cl)c2)nn(CC(F)(F)F)c1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ METAP2 P50579 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 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
SCHEMBL13928628 0.70 PDE5A (0.45) AURKASYKAURKBPDE5AALDH1A1
SCHEMBL4223672 0.69 CXCR2 (0.42) ALDH1A1GFERRXFP1METAP2
SCHEMBL4210571 0.68 MAP3K12 (0.33) CNR1METAP2
SCHEMBL31617117 0.67 AURKA (0.36) CNR1AURKASYKAURKBALDH1A1
SCHEMBL31617121 0.67 AURKA (0.36) CNR1AURKASYKAURKBALDH1A1
SCHEMBL31617113 0.63 AURKA (0.41) CNR1AURKASYKAURKBKDM4C
SCHEMBL4214908 0.60 NR1I2 (0.33) —
SCHEMBL17610151 0.58 KDM4C (0.45) CNR1KDM4CPDE5AMETAP2
SCHEMBL11251103 0.57 ALDH1A1 (0.41) ALDH1A1GFERRXFP1
SCHEMBL4190041 0.57 HTT (0.55) CNR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7494996-B2 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2009-02-24 — — US disclosed
US-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides KELLY MARTHA JEAN (US) 2004-12-02 — — 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-20040242580-A1 Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides DDT, CYP4B1, CYP4X1 CNR1 3267/4885AURKA 2592/4885SYK 4014/4885

“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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