SCHEMBL56294

SCHEMBL56294

O=C(O)NN=C1CCC2(CC1)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
PTPN1 P18031 1/20 0.34
KDM4E B2RXH2 6/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 4/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 2/20 0.31
MEN1 O00255 2/20 0.31
NPC1 O15118 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL18989201 0.80 KDM4E (0.34) ALDH1A1KDM4EKMT2ALMNAGAA
SCHEMBL55895 0.77 KMT2A (0.52) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL20583677 0.76 KDM4E (0.38) ALDH1A1KDM4ECYP2C19KMT2ALMNA
SCHEMBL18641821 0.74 KDM4E (0.37) ALDH1A1KDM4ECYP3A4CYP2C19KMT2A
SCHEMBL20583620 0.74 KDM4E (0.33) ALDH1A1KDM4ECYP2C19LMNAGAA
SCHEMBL7354510 0.72 KDM4E (0.50) ALDH1A1KDM4EKMT2ALMNAGAA
SCHEMBL7345401 0.72
SCHEMBL7351663 0.70 KDM4E (0.53) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL11960017 0.69 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ALMNAGAA
SCHEMBL2305382 0.68 KDM4E (0.35) PTPN1KDM4E

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 ALDH1A1 2453/4885PTPN1 336/4885KDM4E 1987/4885

“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.