SCHEMBL1654751

SCHEMBL1654751

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1n(Cc1ccccc1)c(=O)c(=O)n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 7/20 0.41
▸ DRD2 P14416 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CFTR P13569 2/20 0.38
▸ HPGD P15428 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37

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
SCHEMBL11903226 0.80 HDAC1 (0.39) CYP1A2KDM4EALDH1A1PDE4BPDE4D
SCHEMBL11918076 0.80 CYP1A2 (0.41) USP2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL27879187 0.76 MEN1 (0.40) DRD2TBXA2RCYP1A2KDM4EALDH1A1
SCHEMBL11902751 0.75 CYP1A2 (0.44) USP2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11902957 0.75 NOTUM (0.40) CYP1A2CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL1653951 0.74 ALDH1A1 (0.43) USP2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL1653854 0.74 GCGR (0.37) CYP1A2HPGDKDM4EALDH1A1PDE4A
SCHEMBL11913403 0.72 GABRA2 (0.38) CYP1A2KDM4EALDH1A1PDE4APDE4B
SCHEMBL11913407 0.71 ALDH1A1 (0.41) USP2CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL11903008 0.71 TSHR (0.43) USP2CYP3A4CYP2C9MAPK1HPGD

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 5 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
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 MAPK8 3606/4885DRD2 912/4885TBXA2R 4509/4885

“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.

Send feedback