SCHEMBL2707474

SCHEMBL2707474

CC(O)CC1(C)OCc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.42
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 6/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL2708111 0.87 MTOR (0.53) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2708165 0.85 MTOR (0.55) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2710496 0.84 MTOR (0.46) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2707014 0.83 MTOR (0.57) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2709371 0.81 MTOR (0.42) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2711336 0.81 MTOR (0.40) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2708242 0.80 SMN1; SMN2 (0.41) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL2709948 0.76 MTOR (0.42) MTORALDH1A1KDM4EHPGDMAPT
Ether SCHEMBL2708739 0.75 ALDH1A1 (0.39) MTORALDH1A1KDM4EHPGDMAPT
SCHEMBL985479 0.75 SMN1; SMN2 (0.39) MTORALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445346-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2012-05-02 EP disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO disclosed
WO-2010151601-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-29 WO 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR MTOR 1/4885ALDH1A1 4645/4885KDM4E 2554/4885

“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.