SCHEMBL10240076

SCHEMBL10240076

Cn1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncccc6O)CC5)nc34)cn2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.35
CCNA2 P20248 13/20 0.35
CDK2 P24941 13/20 0.35
CCNA1 P78396 13/20 0.35
RET P07949 3/20 0.35
KIF5B P33176 2/20 0.35
KDR P35968 2/20 0.35
ETV6 P41212 2/20 0.35
KCNH2 Q12809 2/20 0.35
CCDC6 Q16204 2/20 0.35
MTOR P42345 3/20 0.35
RPTOR Q8N122 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
CDK1 P06493 1/20 0.32
MYT1 Q01538 1/20 0.32
RPS6KA4 O75676 1/20 0.31
STK10 O94804 1/20 0.31
LATS1 O95835 1/20 0.31
PAK4 O96013 1/20 0.31
PIM1 P11309 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
SCHEMBL10240073 0.94 KDR (0.35) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10234961 0.90 CHEK1 (0.35) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10240016 0.90 MTOR (0.42) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10240034 0.84 MTOR (0.34) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10234963 0.84 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10240020 0.83 MTOR (0.42) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10240077 0.83 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10240071 0.82 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10234960 0.82 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL10238172 0.82 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1RET

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.