SCHEMBL10234847

SCHEMBL10234847

CC(=O)c1c(C2CCN(C(=O)CCCS(N)(=O)=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.38
▸ RPTOR Q8N122 3/20 0.38
▸ MLST8 Q9BVC4 3/20 0.38
▸ CHEK1 O14757 4/20 0.37
▸ CCNA2 P20248 4/20 0.37
▸ CDK2 P24941 4/20 0.37
▸ CCNA1 P78396 4/20 0.37
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ RET P07949 4/20 0.35
▸ KIF5B P33176 4/20 0.35
▸ KDR P35968 4/20 0.35
▸ ETV6 P41212 4/20 0.35
▸ CCDC6 Q16204 3/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ MET P08581 1/20 0.34

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
SCHEMBL7878659 0.90 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234802 0.90 CHEK1 (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239910 0.90 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234831 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234699 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234684 0.87 MTOR (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234841 0.86 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10235107 0.86 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10234675 0.85 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239903 0.85 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2

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 2 patents. 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
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.

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