SCHEMBL13428897

SCHEMBL13428897

CNc1ncccc1CNC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
HRH1 P35367 1/20 0.35
CASP6 P55212 1/20 0.35
CCR5 P51681 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
MPO P05164 1/20 0.34
TPO P07202 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL31509923 0.82 CYP2A6 (0.41) CASP6GRM5ALDH1A1RAB9AHTR2A
SCHEMBL7937049 0.82 CYP2A6 (0.41) CASP6GRM5ALDH1A1RAB9AHTR2A
SCHEMBL13428871 0.80 ADRA2C (0.36) ADRA2CBCHEACHEHSP90AA1HSP90AB1
SCHEMBL26239912 0.79 ADRA2C (0.42) ADRA2CBCHEACHEHSP90AA1HSP90AB1
SCHEMBL8550272 0.79 ADRA2C (0.46) ADRA2CBCHEACHEHRH1CCR5
SCHEMBL13428821 0.77 KDM1A (0.46) ADRA2CBCHEACHEHRH1CCR5
SCHEMBL13428832 0.77 KDM1A (0.46) ADRA2CBCHEACHEHRH1CCR5
SCHEMBL17827959 0.76 GRM5 (0.41) CASP6CYP2C19GRM5ALDH1A1RAB9A
SCHEMBL31510053 0.75 TRPV1 (0.41) CASP6GRM5ALDH1A1HTR2AHTR2C
SCHEMBL13428872 0.75 MAPK1 (0.40) ADRA2CBCHEACHEHRH1CCR5

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 2273/4885BCHE 4683/4885ACHE 4843/4885

“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.