SCHEMBL10240089

SCHEMBL10240089

C=S(C)(=O)c1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)[C@@H](C)O)CC5)nc34)cn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.36
RPTOR Q8N122 2/20 0.36
MLST8 Q9BVC4 2/20 0.36
GPR119 Q8TDV5 4/20 0.33
MCHR1 Q99705 1/20 0.33
KDR P35968 2/20 0.32
RET P07949 1/20 0.32
KIF5B P33176 1/20 0.32
ETV6 P41212 1/20 0.32
KCNH2 Q12809 1/20 0.32
CCDC6 Q16204 1/20 0.32
PIK3CA P42336 5/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CG P48736 1/20 0.32
JAK3 P52333 2/20 0.32
CHEK1 O14757 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
LCK P06239 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
SCHEMBL10234987 0.90 MTOR (0.35) MTORRPTORMLST8GPR119MCHR1
SCHEMBL10240026 0.89 RAB9A (0.37) MTORRPTORMLST8MCHR1PIK3CA
SCHEMBL10240078 0.88 MTOR (0.43) MTORRPTORMLST8MCHR1KDR
SCHEMBL10240027 0.88 MTOR (0.35) MTORRPTORMLST8GPR119PIK3CA
SCHEMBL7881551 0.87 CHEK1 (0.42) MTORRPTORMLST8KDRRET
SCHEMBL10240025 0.86 CHEK1 (0.41) MTORRPTORMLST8KDRPIK3CA
SCHEMBL10240086 0.86 NPC1 (0.37) MTORRPTORMLST8KDRRET
SCHEMBL10240075 0.85 MTOR (0.35) MTORRPTORMLST8KDRPIK3CA
SCHEMBL10240085 0.85 MTOR (0.39) MTORRPTORMLST8KDRRET
SCHEMBL10240148 0.84 MTOR (0.33) MTORRPTORMLST8KDRRET

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.