Sugi Predict

Sugi Predict / Compounds / SCHEMBL3240465

SCHEMBL3240465

SCHEMBL3240465

O=C(NCc1cc(F)c(F)c(F)c1)c1n[nH]c(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ LCK P06239 2/20 0.35
▸ BTK Q06187 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ HSD17B13 Q7Z5P4 3/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ WDR5 P61964 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GRK6 P43250 1/20 0.32
▸ TEC P42680 1/20 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
SCHEMBL3241322 0.89 MAOB (0.45) ROCK2ROCK1GSK3BKLKB1MAOB
SCHEMBL3240309 0.87 P2RX7 (0.40) ROCK1MAOBWDR5
SCHEMBL13673371 0.84 MAOB (0.42) GSK3BHSP90AA1HSP90AB1MAOBMT-CO2
SCHEMBL3242282 0.83 MAOB (0.48) ROCK2ROCK1GSK3BMAOBWDR5
SCHEMBL3232868 0.83 PDE2A (0.48) MAPK14HSP90AA1HSP90AB1
SCHEMBL3243700 0.79 EPHX2 (0.44) GRK6
SCHEMBL3247187 0.78 KLKB1 (0.48) GSK3BKLKB1MAPK14LMNA
SCHEMBL1114135 0.78 HDAC1 (0.37) ROCK2ROCK1MAOBHSD17B13
SCHEMBL3242363 0.77 ROCK1 (0.51) ROCK2ROCK1MAPK14
SCHEMBL3247205 0.76 HSD17B13 (0.52) HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO claimed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — 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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ROCK2 3358/4885ROCK1 2801/4885GSK3B 2936/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ROCK2 3358/4885ROCK1 2801/4885GSK3B 2936/4885
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives CFTR, PKD1, PKD2 ROCK2 2304/4885ROCK1 1868/4885GSK3B 2419/4885

“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.