SCHEMBL3236116

SCHEMBL3236116

Oc1c(Cl)cc(-c2cnc(OCc3ccc(CN4CCN(c5ccc(F)cc5F)CC4)cc3)nn2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 6/20 0.40
CRBN Q96SW2 6/20 0.40
IKZF3 Q9UKT9 4/20 0.40
DRD2 P14416 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
GRM5 P41594 3/20 0.38
PARP1 P09874 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
NPY2R P49146 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL3245703 0.87 CRBN (0.39) DDB1CRBNIKZF3DRD2GRM5
SCHEMBL3237578 0.83 DRD2 (0.45) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3247651 0.82 ABCB1 (0.33) KCNH2MELKHRH3
SCHEMBL3245757 0.82 RPS6KA3 (0.40) ALDH1A1TDP1MAPK1
SCHEMBL3243794 0.81 ENPP2 (0.40) DRD2KCNH2DRD4DRD3ALDH1A1
SCHEMBL8017379 0.80 MELK (0.43) DDB1CRBNSMN1; SMN2MELKHRH3
SCHEMBL3232802 0.79 DRD2 (0.43) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL3235754 0.79 MEN1 (0.50) ALDH1A1SMN1; SMN2MELKHRH3
SCHEMBL8391600 0.79 JAK1 (0.41) MELKHRH3
SCHEMBL3247189 0.78 HRH3 (0.42) ADRA1DADRA1AADRA1BALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 DDB1 1506/4885CRBN 1259/4885IKZF3 1085/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 DDB1 1022/4885CRBN 1844/4885IKZF3 2302/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 DDB1 1022/4885CRBN 1844/4885IKZF3 2302/4885

“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.