SCHEMBL10240062

SCHEMBL10240062

CCc1cc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)CO)CC5)nc34)cn2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MTOR P42345 6/20 0.34
CHEK1 O14757 5/20 0.34
CCNA2 P20248 5/20 0.34
CDK2 P24941 5/20 0.34
CCNA1 P78396 5/20 0.34
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
RPTOR Q8N122 3/20 0.33
MLST8 Q9BVC4 3/20 0.33
MET P08581 2/20 0.33
PIK3CD O00329 1/20 0.33
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
TBK1 Q9UHD2 1/20 0.32
PIK3CA P42336 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL10240142 0.86 MTOR (0.43) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240064 0.85 MET (0.33) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240059 0.85 MAPK1 (0.37) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240063 0.83 MTOR (0.35) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240036 0.83 KDM4E (0.36) MTORCHEK1RPTORMLST8MET
SCHEMBL10240057 0.82 GRM5 (0.39) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240139 0.82 RET (0.36) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240055 0.81 MET (0.34) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10240005 0.80 MTOR (0.42) MTORCHEK1CCNA2CDK2CCNA1
SCHEMBL10234948 0.80 GUCY1A1 (0.35) MTORCHEK1CCNA2CDK2CCNA1

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 TMEM97 2685/4885SIGMAR1 4058/4885MTOR 1/4885

“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.