SCHEMBL10240053

SCHEMBL10240053

CC(CO)(CO)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccn(CCO)c5)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.34
CCNA2 P20248 11/20 0.34
CDK2 P24941 11/20 0.34
CCNA1 P78396 11/20 0.34
MTOR P42345 3/20 0.32
RPTOR Q8N122 2/20 0.32
MLST8 Q9BVC4 2/20 0.32
KDR P35968 4/20 0.31
LCK P06239 2/20 0.31
HCK P08631 2/20 0.31
SRC P12931 2/20 0.31
RET P07949 2/20 0.31
KIF5B P33176 2/20 0.31
ETV6 P41212 2/20 0.31
KCNH2 Q12809 2/20 0.31
CCDC6 Q16204 2/20 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
SCHEMBL10234923 0.90 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10240146 0.89 MTOR (0.41) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10240054 0.88 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7886260 0.86 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL10240048 0.85 LCK (0.37) MTORRPTORMLST8KDRLCK
SCHEMBL10240045 0.84 PIK3CA (0.35) CHEK1MTORRPTORMLST8KDR
SCHEMBL10240035 0.82 CYP11B2 (0.32) CHEK1MTORRPTORMLST8
SCHEMBL10234881 0.82 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1MTOR
SCHEMBL7882675 0.82 KDM4E (0.38) CHEK1CCNA2CDK2CCNA1KDR
SCHEMBL10238135 0.80 TYRO3 (0.36) CHEK1CCNA2CDK2CCNA1MTOR

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 CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.