SCHEMBL1653944

SCHEMBL1653944

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc2c1Nc1ccccc1N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 3/20 0.35
▸ TAS1R3 Q7RTX0 2/20 0.35
▸ TAS1R1 Q7RTX1 2/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ SLK Q9H2G2 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ MEP1B Q16820 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32

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
SCHEMBL11903434 0.81 TAS1R3 (0.34) ACLYTAS1R3TAS1R1TAS1R2ROCK2
SCHEMBL11902671 0.81 NOS1 (0.36) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL117789 0.78 TAS1R3 (0.40) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1115268 0.77 TAS1R3 (0.39) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1115136 0.76 KDM4E (0.39) ACLYTAS1R3TAS1R1TAS1R2KDR
SCHEMBL30151443 0.76 KDM4E (0.39) ACLYTAS1R3TAS1R1TAS1R2KDR
SCHEMBL716664 0.76 TAS1R3 (0.38) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1114950 0.76 TAS1R3 (0.38) ACLYTAS1R3TAS1R1TAS1R2MEP1B
SCHEMBL1223170 0.76 KDM4E (0.39) ACLYTAS1R3TAS1R1TAS1R2KDR
SCHEMBL1654699 0.75 TP53 (0.38) ACLYTAS1R3TAS1R1TAS1R2MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488518-A2 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-08-22 — — EP disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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 (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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ACLY 537/4885TAS1R3 4361/4885TAS1R1 4355/4885

“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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