SCHEMBL14245751

SCHEMBL14245751

Cn1ccc(-c2ccc(-c3cnn4c(N)c(C5CC5)c(C5C[C@H]6CC[C@@H](C5)N6C(=O)CO)nc34)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.43
RPTOR Q8N122 5/20 0.43
MLST8 Q9BVC4 5/20 0.43
CHEK1 O14757 13/20 0.42
CCNA2 P20248 12/20 0.42
CDK2 P24941 12/20 0.42
CCNA1 P78396 12/20 0.42
RPS6KA4 O75676 1/20 0.33
STK10 O94804 1/20 0.33
LATS1 O95835 1/20 0.33
PAK4 O96013 1/20 0.33
RET P07949 1/20 0.33
PIM1 P11309 1/20 0.33
NQO2 P16083 1/20 0.33
CSNK2A2 P19784 1/20 0.33
MARK3 P27448 1/20 0.33
MAP2K2 P36507 1/20 0.33
TGFBR2 P37173 1/20 0.33
PRKCI P41743 1/20 0.33
PSMC4 P43686 1/20 0.33

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
SCHEMBL14298541 1.00 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14245750 1.00 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2148030 0.90 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL12460900 0.90 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL12460270 0.90 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246142 0.90 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246568 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246567 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL14246569 0.89 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2152198 0.85 MTOR (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US claimed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 US claimed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 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-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 MTOR 1/4885RPTOR 4/4885MLST8 35/4885

“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.