SCHEMBL13828635

SCHEMBL13828635

Cc1cnc(-c2ccc(NC(=O)Nc3ccncc3)cc2)nc1N1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.77
PIK3CA P42336 3/20 0.65
PIK3CG P48736 2/20 0.65
PIK3CD O00329 1/20 0.65

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
SCHEMBL13828703 0.92 MTOR (0.76) MTOR
SCHEMBL13828626 0.91 MTOR (0.76) MTORPIK3CAPIK3CG
SCHEMBL13828825 0.90 MTOR (0.80) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL13828570 0.90 MTOR (0.64) MTOR
SCHEMBL13828807 0.90 MTOR (0.77) MTORPIK3CAPIK3CG
SCHEMBL13828822 0.90 MTOR (0.77) MTORPIK3CAPIK3CG
SCHEMBL13828566 0.89 MTOR (0.76) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL13828567 0.89 MTOR (0.77) MTOR
SCHEMBL13828724 0.88 MTOR (0.78) MTORPIK3CAPIK3CG
SCHEMBL13828617 0.88 MTOR (0.78) MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 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 (3 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-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885PIK3CG 9/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885PIK3CG 9/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885PIK3CG 9/4885

“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.