SCHEMBL4293884

SCHEMBL4293884

O=C(c1ncn([C@@H]2CCCC[C@@]2(O)CC2CC2)c1-c1ccccc1)N1CCNC[C@H]1Cn1nnc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.32
USP19 O94966 5/20 0.32
ALDH1A1 P00352 1/20 0.32
TDO2 P48775 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
EGLN3 Q9H6Z9 1/20 0.30
GAA P10253 2/20 0.30
MGAM O43451 1/20 0.30
AMY1A P0DUB6 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL4285089 0.93 ALDH1A1 (0.34) USP19ALDH1A1EGLN3
SCHEMBL4286954 0.91 USP19 (0.36) CDK9USP19ALDH1A1CYP2C9CYP2C19
SCHEMBL4281288 0.89 USP19 (0.35) CDK9USP19NPSR1
SCHEMBL4285427 0.88 USP19 (0.31) USP19
SCHEMBL4285171 0.87 USP19 (0.32) USP19
SCHEMBL13705371 0.86 CA1 (0.41) USP19CYP3A4
SCHEMBL13705365 0.86 CA1 (0.41) USP19CYP3A4
Hydrochloric Acid SCHEMBL4285141 0.85 CA1 (0.41) USP19CYP3A4
Hydrochloric Acid SCHEMBL4291097 0.85 CA1 (0.41) USP19CYP3A4
SCHEMBL4287236 0.85 ADRA2A (0.39) USP19NPSR1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CDK9 795/4885USP19 1993/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CDK9 795/4885USP19 1993/4885ALDH1A1 388/4885

“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.