SCHEMBL13828675

SCHEMBL13828675

Cc1c(Cl)nc(-c2ccc(N)cc2)nc1N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.58
PIK3CA P42336 6/20 0.58
PIK3R1 P27986 1/20 0.58
PIK3CD O00329 2/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.45
PIK3CG P48736 2/20 0.45
PIK3CB P42338 1/20 0.45
MAPK14 Q16539 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44

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
SCHEMBL13829026 0.90 PIK3CA (0.66) MTORPIK3CAPIK3R1PIK3CDMEN1
SCHEMBL13828596 0.88 MTOR (0.65) MTORPIK3CAPIK3CG
SCHEMBL13828881 0.87 MTOR (0.55) MTORPIK3CAPIK3R1PIK3CDMEN1
SCHEMBL1373862 0.86 GAA (0.63) PIK3CAMEN1KMT2AALDH1A1GAA
SCHEMBL12463454 0.85 MTOR (0.62) MTORPIK3CAPIK3R1PIK3CDMEN1
SCHEMBL2148462 0.84 MTOR (0.70) MTORPIK3CAPIK3R1PIK3CD
SCHEMBL13828937 0.83 MTOR (0.44) MTORPIK3CAPIK3R1PIK3CDMEN1
SCHEMBL13828927 0.83 PIK3CA (0.60) MTORPIK3CAPIK3R1PIK3CDPIK3CG
SCHEMBL13828614 0.82 MTOR (0.56) MTORPIK3CAPIK3R1PIK3CDMEN1
SCHEMBL13828865 0.82 MEN1 (0.61) MTORMEN1KMT2AALDH1A1LMNA

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 2/4885PIK3R1 20/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885PIK3R1 20/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885PIK3R1 20/4885

“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.