SCHEMBL13066286

SCHEMBL13066286

CC1=CCc2cccnc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
NPC1 O15118 2/20 0.35
HSP90AA1 P07900 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GSK3B P49841 1/20 0.33
IDH1 O75874 10/20 0.33
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
BRS3 P32247 1/20 0.32
DRD2 P14416 1/20 0.32
NFKB1 P19838 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
SCHEMBL13024496 0.77 ADRA2A (0.38) ADRA2AADRA2BADRA2CGSK3BIDH1
SCHEMBL4021970 0.72 IDH1 (0.41) ADRA2AADRA2BADRA2CL3MBTL1IDH1
SCHEMBL22292628 0.68 NPC1 (0.42) ADRA2AADRA2BADRA2CNPC1HSP90AA1
SCHEMBL450139 0.68
SCHEMBL12045420 0.67 CYP2A6 (0.36) NPC1HSP90AA1L3MBTL1CYP1A2ALDH1A1
SCHEMBL14253139 0.66 ADRA2A (0.36) ADRA2AADRA2BADRA2CGSK3BIDH1
SCHEMBL14253136 0.66 ADRA2A (0.36) ADRA2AADRA2BADRA2CGSK3BIDH1
SCHEMBL19293287 0.65 NPC1 (0.33) ADRA2AADRA2BADRA2CNPC1HSP90AA1
SCHEMBL13873056 0.65 ADRA2A (0.39) ADRA2AADRA2BADRA2CGSK3BIDH1
SCHEMBL3939163 0.65 ADRA2A (0.33) ADRA2AADRA2BADRA2CCYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 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 (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-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC ADRA2A 2593/4885ADRA2B 1577/4885ADRA2C 2689/4885

“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.