SCHEMBL2708151

SCHEMBL2708151

Clc1nc2c(c(N3CCOCC3)n1)OCCC2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CTSK P43235 2/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 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
SCHEMBL2266744 0.78 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL15496431 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EPOLBCTSK
SCHEMBL2710619 0.76 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL30225319 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL23975658 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL15496460 0.74 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL11107458 0.74 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDPOLB
SCHEMBL2706795 0.73 ATM (0.36)
SCHEMBL7930954 0.71 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KDM4EPOLBCTSK
SCHEMBL12312857 0.70 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EPOLBTSHR

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 1/4885SMN1; SMN2 1953/4885ALDH1A1 4645/4885

“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.