SCHEMBL10240055

SCHEMBL10240055

C=C1C=COc2ccc(-c3ccc(-c4cnn5c(N)c(C=O)c(C6CCN(C(=O)CO)CC6)nc45)cn3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.34
CHEK1 O14757 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CCNA1 P78396 3/20 0.32
MTOR P42345 5/20 0.31
RPTOR Q8N122 4/20 0.31
MLST8 Q9BVC4 4/20 0.31
PIK3CD O00329 1/20 0.30
LCK P06239 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL10240036 0.84 KDM4E (0.36) METCHEK1MTORRPTORMLST8
SCHEMBL10240063 0.84 MTOR (0.35) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240142 0.84 MTOR (0.43) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240062 0.81 TMEM97 (0.34) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240057 0.81 GRM5 (0.39) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240064 0.81 MET (0.33) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240059 0.81 MAPK1 (0.37) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10240139 0.80 RET (0.36) METCHEK1CCNA2CDK2CCNA1
SCHEMBL10234938 0.80 MTOR (0.31) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10240045 0.77 PIK3CA (0.35) CHEK1MTORRPTORMLST8LCK

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 MET 1965/4885CHEK1 461/4885CCNA2 2476/4885

“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.