SCHEMBL13428871

SCHEMBL13428871

CC(C)NCc1cccnc1NCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.36
NUDT1 P36639 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CASP6 P55212 1/20 0.34
FDPS P14324 1/20 0.34
GPR39 O43194 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 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
SCHEMBL13456618 0.83 GPR39 (0.38) NUDT1CASP6FDPSGPR39JAK2
SCHEMBL13428897 0.80 ADRA2C (0.40) ADRA2CBCHEACHECASP6ALDH1A1
SCHEMBL8550272 0.73 ADRA2C (0.46) ADRA2CBCHEACHECCR5CYP2C19
SCHEMBL26239912 0.73 ADRA2C (0.42) ADRA2CBCHEACHEALDH1A1HSP90AA1
SCHEMBL13428832 0.71 KDM1A (0.46) ADRA2CBCHEACHEALDH1A1CCR5
SCHEMBL13428821 0.71 KDM1A (0.46) ADRA2CBCHEACHEALDH1A1LMNA
SCHEMBL14438316 0.69 BCHE (0.48) ADRA2CBCHEACHEKDM4EALDH1A1
SCHEMBL30980822 0.69 KDM1A (0.50) ADRA2CALDH1A1CCR5CYP2C19
SCHEMBL13428872 0.69 MAPK1 (0.40) ADRA2CBCHEACHEKDM4EALDH1A1
SCHEMBL13428815 0.69 KDM1A (0.50) ADRA2CALDH1A1CCR5CYP2C19

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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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 (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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ADRA2C 2273/4885NUDT1 2349/4885BCHE 4683/4885

“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.