SCHEMBL2632629

SCHEMBL2632629

O=C1CC(NC(=O)Nc2ccc(-c3nc4c(c(N5CCOCC5)n3)CCNC4)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.72
PIK3CA P42336 1/20 0.49

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
SCHEMBL7937487 0.91 MTOR (0.73) MTORPIK3CA
SCHEMBL3722216 0.86 MTOR (0.82) MTORPIK3CA
Hydrochloric Acid SCHEMBL15189895 0.85 MTOR (0.80) MTORPIK3CA
SCHEMBL7946426 0.84 MTOR (0.69) MTORPIK3CA
SCHEMBL7945048 0.84 MTOR (0.69) MTORPIK3CA
SCHEMBL412940 0.83 MTOR (1.00) MTORPIK3CA
Hydrochloric Acid SCHEMBL1831687 0.83 MTOR (0.98) MTORPIK3CA
SCHEMBL1833052 0.82 MTOR (0.73) MTOR
SCHEMBL10112572 0.81 MTOR (0.93) MTORPIK3CA
SCHEMBL3719579 0.79 MTOR (0.71) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 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 (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 1/4885PIK3CA 4/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK MTOR 1/4885PIK3CA 4/4885

“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.