SCHEMBL5774833

SCHEMBL5774833

CN(Cc1csc(/C(=N\N)c2ccc(-c3cnco3)cc2)n1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.36
NPC1 O15118 3/20 0.35
PKM P14618 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
MYC P01106 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL5776577 0.86 ATR (0.32) IMPDH2IMPDH1AAK1
SCHEMBL5912671 0.76 IMPDH2 (0.34) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5779104 0.76 AAK1 (0.38) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5774837 0.74 IMPDH2 (0.39) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5779456 0.73 GPR119 (0.45) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5775952 0.72 NPC1 (0.49) NPC1PKMKDM4ELMNARAB9A
SCHEMBL5777062 0.69 NPC1 (0.44) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5776483 0.66 CDK1 (0.49) NPC1PKMKDM4ELMNARAB9A
SCHEMBL5776708 0.65 ROCK2 (0.41) GPR119NPC1PKMKDM4ELMNA
SCHEMBL5778725 0.65 KDM4E (0.48) NPC1PKMKDM4ELMNARAB9A

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 GPR119 2675/4885NPC1 952/4885PKM 3411/4885

“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.