SCHEMBL15031522

SCHEMBL15031522

COCCO[C@]1(C(=O)NO)CC[C@@H](c2nc3c(-c4ccc(-c5ccc[nH]5)nc4)cnn3c(N)c2C(C)=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 3/20 0.33
▸ RPTOR Q8N122 3/20 0.33
▸ MLST8 Q9BVC4 3/20 0.33
▸ CHEK1 O14757 2/20 0.32
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ KDR P35968 2/20 0.31
▸ TTK P33981 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KIF5B P33176 1/20 0.31
▸ ETV6 P41212 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ CCDC6 Q16204 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
SCHEMBL15031521 1.00 MTOR (0.33) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15031518 0.93 MTOR (0.34) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL16229242 0.91 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007199 0.91 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL28915 0.91 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30464 0.91 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007147 0.91 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15031492 0.91 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15031493 0.85 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007279 0.85 MTOR (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-06-13 — — 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-20130150362-A1 NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RPS6KA5, PAK5 MTOR 1/4885RPTOR 11/4885MLST8 100/4885

“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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