SCHEMBL1831292

SCHEMBL1831292

CCOC(=O)C=CCC1c2nc(Cl)nc(N3CCOCC3)c2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 3/20 0.35
PIK3R1 P27986 10/20 0.34
PIK3CA P42336 10/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL1831291 1.00 MTOR (0.36) MTORKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1832962 0.86 MTOR (0.38) MTORKDM4EALDH1A1PIK3R1PIK3CA
SCHEMBL1830271 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1830266 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1830390 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1830395 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1830269 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1830268 0.81 MTOR (0.62) MTORPIK3CA
SCHEMBL1834030 0.81 MTOR (0.38) MTORKDM4EALDH1A1PIK3R1PIK3CA
SCHEMBL1830218 0.79 PIK3R1 (0.42) MTORPIK3R1PIK3CA

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-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
EP-2318377-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE Genentech, Inc. (US) 2011-05-11 EP disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 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 (2 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-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885KDM4E 2804/4885ALDH1A1 4303/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885KDM4E 2804/4885ALDH1A1 4303/4885

“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.