SCHEMBL10239396

SCHEMBL10239396

[2H]C(C(=O)OCC)C1([2H])CCC(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c2Br)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.34
MTOR P42345 3/20 0.33
AKT1 P31749 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.32
DGAT1 O75907 3/20 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
SCHEMBL584589 0.91 DGAT1 (0.38) PIK3CAMTORAKT1L3MBTL1ALDH1A1
SCHEMBL10239398 0.87 PIK3CA (0.35) PIK3CAMTORAKT1L3MBTL1ALDH1A1
SCHEMBL7881024 0.86 PIK3CA (0.33) PIK3CAMTORAKT1L3MBTL1ALDH1A1
SCHEMBL10239402 0.86 DGAT1 (0.33) DGAT1
SCHEMBL10239400 0.85 CHEK1 (0.41) PIK3CAMTORAKT1L3MBTL1ALDH1A1
SCHEMBL594420 0.85 PIK3CA (0.33) PIK3CAMTORAKT1DGAT1
SCHEMBL2680181 0.85 DGAT1 (0.36) PIK3CAMTORAKT1DGAT1
SCHEMBL7886269 0.85 PIK3CA (0.33) PIK3CAMTORAKT1DGAT1
SCHEMBL7874285 0.83 CHEK1 (0.34) PIK3CAMTORAKT1
SCHEMBL6889950 0.83 CHEK1 (0.32) PIK3CAMTORAKT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 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 (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-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR PIK3CA 34/4885MTOR 1/4885AKT1 230/4885

“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.