SCHEMBL55895

SCHEMBL55895

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 6/20 0.34
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.33
HCRTR2 O43614 1/20 0.32
HPGD P15428 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
SCHEMBL20583456 0.84 KMT2A (0.53) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16121924 0.84 ALDH1A1 (0.56) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20583542 0.82 ALDH1A1 (0.57) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20533552 0.81 ALDH1A1 (0.56) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL17102361 0.81 ALDH1A1 (0.56) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1406859 0.80 KMT2A (0.58) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL20583757 0.80 ALDH1A1 (0.52) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL272269 0.78 ALDH1A1 (0.63) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL573354 0.78 ALDH1A1 (0.63) KMT2AALDH1A1RAB9AKDM4EMIF
SCHEMBL16121818 0.78 ALDH1A1 (0.47) KMT2AALDH1A1RAB9ANPC1SMN1; SMN2

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 9 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
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
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
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
US-20090098086-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-16 US 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 KMT2A 3336/4885ALDH1A1 2453/4885RAB9A 1390/4885

“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.