SCHEMBL10240027

SCHEMBL10240027

CCc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
THRB P10828 2/20 0.34
TP53 P04637 2/20 0.34
PIK3CA P42336 5/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CG P48736 1/20 0.33
CHEK1 O14757 4/20 0.33
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33
CCNA1 P78396 4/20 0.33
GUCY1A1 Q02108 3/20 0.32
GUCY1B1 Q02153 3/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL10240028 0.92 MTOR (0.35) MTORRPTORMLST8TP53PIK3CA
SCHEMBL10240026 0.91 RAB9A (0.37) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240078 0.89 MTOR (0.43) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10234896 0.89 THRB (0.36) MTORRPTORMLST8THRBTP53
SCHEMBL10240089 0.88 MTOR (0.36) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL7881551 0.88 CHEK1 (0.42) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240025 0.87 CHEK1 (0.41) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240086 0.87 NPC1 (0.37) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240075 0.86 MTOR (0.35) MTORRPTORMLST8PIK3CAPIK3CD
SCHEMBL10240054 0.86 CHEK1 (0.34) MTORRPTORMLST8PIK3CAPIK3CD

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 MTOR 1/4885RPTOR 3/4885MLST8 15/4885

“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.