SCHEMBL56046

SCHEMBL56046

CN(C)CCOc1ccc(N(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.63
LTA4H P09960 2/20 0.61
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
APP P05067 3/20 0.54
LSS P48449 1/20 0.50

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
SCHEMBL10020310 0.81 HRH3 (0.56) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL14922323 0.81 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL1263730 0.81 PTGES (0.68) LTA4HKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL19958267 0.81 APP (0.70) KDM4EALDH1A1APP
SCHEMBL1263098 0.81 ALDH1A1 (0.62) LTA4HKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL91406 0.81 HRH3 (0.66) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL21708843 0.80 APP (0.55) HRH3KDM4EALDH1A1APP
SCHEMBL14922719 0.79 HRH3 (0.63) HRH3LTA4HKEAP1NFE2L2KDM4E
Hydrochloric Acid SCHEMBL21595634 0.79 SMN1; SMN2 (0.68) HRH3LTA4HKEAP1NFE2L2KDM4E
SCHEMBL20912325 0.79 HRH3 (0.63) HRH3LTA4HKEAP1NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129371-B2 Thienopyrimidine and pyrazolopyrimidine compounds and their use as mTOR kinase and PI3 kinase inhibitors WYETH LLC (US) 2012-03-06 US disclosed
EP-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 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-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PIK3CD HRH3 2715/4885LTA4H 3229/4885KEAP1 983/4885

“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.