SCHEMBL3515020

SCHEMBL3515020

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccc4nccn4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
CHEK2 O96017 1/20 0.50
HPGD P15428 4/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
USP2 O75604 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 2/20 0.48
NAMPT P43490 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48

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
SCHEMBL1373313 0.80 HRH3 (0.64) GPR119CHEK2HPGDKDM4EALDH1A1
SCHEMBL18318725 0.80 GPR119 (0.49) GPR119CHEK2
SCHEMBL28912555 0.80 GPR119 (0.51) GPR119CHEK2HTT
SCHEMBL25230307 0.79 NAMPT (0.54) GPR119HPGDKDM4EALDH1A1MEN1
SCHEMBL30497917 0.79 GPR119 (0.48) GPR119CHEK2
SCHEMBL18318546 0.79 GPR119 (0.53) GPR119CHEK2
Hydrochloric Acid SCHEMBL18318253 0.79 GPR119 (0.50) GPR119CHEK2HTT
SCHEMBL18318062 0.78 USP30 (0.54) GPR119CHEK2HTT
SCHEMBL4773866 0.77 NAMPT (0.53) GPR119NAMPT
SCHEMBL1649132 0.77 GPR119 (0.64) GPR119CHEK2ALDH1A1KMT2A

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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A GPR119 1257/4885CHEK2 1126/4885HPGD 1182/4885

“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.