SCHEMBL56319

SCHEMBL56319

Nc1ccc(S(=O)(=O)CCN2CCCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOX P28300 6/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
HRH3 Q9Y5N1 4/20 0.47
KCNH2 Q12809 3/20 0.47
MAPK1 P28482 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL14304331 0.89 LOX (0.60) LOXALDH1A1GAAHRH3KCNH2
SCHEMBL7798812 0.85 LMNA (0.51) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL5261643 0.84 KMT2A (0.72) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL2921597 0.83 ESR1 (0.58) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL13604236 0.83 KMT2A (0.71) LOXMEN1KMT2AALDH1A1MAPK1
SCHEMBL13091569 0.81 MEN1 (0.49) LOXMEN1KMT2AALDH1A1HRH3
SCHEMBL2922255 0.81 ESR1 (0.56) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL14476103 0.81 MEN1 (0.73) LOXMEN1KMT2AALDH1A1MAPK1
SCHEMBL12015819 0.81 LOX (0.51) LOXMEN1KMT2AALDH1A1GAA
SCHEMBL7796947 0.80 ALDH1A1 (0.49) LOXMEN1KMT2AALDH1A1GAA

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 LOX 3614/4885MEN1 2562/4885KMT2A 3336/4885

“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.