SCHEMBL10240071

SCHEMBL10240071

Nc1c(C=O)c(C2CCN(C(=O)c3nccnc3O)CC2)nc2c(-c3ccc(-c4cccnc4)nc3)cnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
HTR2B P41595 2/20 0.38
MTOR P42345 3/20 0.37
RPTOR Q8N122 3/20 0.37
MLST8 Q9BVC4 3/20 0.37
HPGDS O60760 1/20 0.34
KDR P35968 3/20 0.34
JAK1 P23458 1/20 0.34
RET P07949 2/20 0.34
KIF5B P33176 2/20 0.34
ETV6 P41212 2/20 0.34
KCNH2 Q12809 2/20 0.34
CCDC6 Q16204 2/20 0.34
PIM1 P11309 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
JAK3 P52333 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
SCHEMBL10240077 0.92 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10234950 0.89 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10240016 0.87 MTOR (0.42) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10240080 0.86 RET (0.40) KDRRETKIF5BETV6KCNH2
SCHEMBL10240020 0.86 MTOR (0.42) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL7881551 0.86 CHEK1 (0.42) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10240069 0.85 DPP4 (0.34) MTORRPTORMLST8KDRRET
SCHEMBL10240014 0.84 MTOR (0.41) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10240015 0.84 MTOR (0.41) CHEK1CCNA2CDK2CCNA1HTR2B
SCHEMBL10234852 0.83 MTOR (0.41) CHEK1CCNA2CDK2CCNA1HTR2B

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 2 patents. 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
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.