SCHEMBL5776577

SCHEMBL5776577

CN(Cc1csc(/C(=N\N)c2ccc(-c3cnco3)c(I)c2)n1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.32
AAK1 Q2M2I8 4/20 0.32
IMPDH2 P12268 4/20 0.31
IMPDH1 P20839 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
SCHEMBL5774833 0.86 GPR119 (0.36) AAK1IMPDH2IMPDH1
SCHEMBL5777356 0.78 AAK1 (0.35) AAK1IMPDH2IMPDH1
SCHEMBL5776578 0.75 IMPDH2 (0.35) AAK1IMPDH2IMPDH1
SCHEMBL5779359 0.65 IMPDH2 (0.35) AAK1IMPDH2IMPDH1
SCHEMBL5779356 0.65 IMPDH2 (0.35) AAK1IMPDH2IMPDH1
SCHEMBL5912671 0.64 IMPDH2 (0.34) AAK1IMPDH2IMPDH1
SCHEMBL5774837 0.63 IMPDH2 (0.39) AAK1IMPDH2IMPDH1
SCHEMBL5779104 0.63 AAK1 (0.38) AAK1IMPDH2IMPDH1
SCHEMBL5779456 0.58 GPR119 (0.45) AAK1IMPDH2IMPDH1
SCHEMBL5779035 0.58 IMPDH2 (0.60) AAK1IMPDH2IMPDH1

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-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT ATR 2387/4885AAK1 1161/4885IMPDH2 4694/4885

“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.