SCHEMBL11913403

SCHEMBL11913403

COC(=O)c1nc(-c2ccc(Cl)c(F)c2)nc2c1cc(C)n2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 1/20 0.38
▸ GABRB2 P47870 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ PDE4D Q08499 4/20 0.37
▸ PDE4B Q07343 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KDM4C Q9H3R0 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL1653854 0.86 GCGR (0.37) KDM4EPKMRCE1PDE4DPDE4B
SCHEMBL11903008 0.81 TSHR (0.43) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11902934 0.79 TRPV1 (0.39) KDM4EPKMRCE1PDE4DPDE4B
SCHEMBL11903055 0.79 HTT (0.42) KDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL11903226 0.77 HDAC1 (0.39) KDM4EPDE4DPDE4BALDH1A1SMN1; SMN2
SCHEMBL11902630 0.76 GRM2 (0.37) PDE4DPDE4BPDE4APDE4CGRIN2B
SCHEMBL11903405 0.76 PDE4D (0.37) PDE4DPDE4BPDE4APDE4CGRIN2B
SCHEMBL1654710 0.74 RHEB (0.40) KDM4EPKMRCE1PDE4DPDE4B
SCHEMBL11902528 0.74 ABL1 (0.39) KDM4EPKMRCE1PDE4DPDE4B
SCHEMBL11903049 0.74 GAA (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO GABRA2 954/4885GABRB2 544/4885KDM4E 3599/4885

“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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