SCHEMBL10240073

SCHEMBL10240073

Cn1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6ncccc6N)CC5)nc34)cn2)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.35
RET P07949 2/20 0.35
KIF5B P33176 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
CHEK1 O14757 11/20 0.34
CCNA2 P20248 11/20 0.34
CDK2 P24941 11/20 0.34
CCNA1 P78396 11/20 0.34
LCK P06239 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
SYK P43405 1/20 0.31
KDM5A P29375 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL10240076 0.94 CHEK1 (0.35) KDRRETKIF5BETV6KCNH2
SCHEMBL10234963 0.90 CHEK1 (0.34) KDRRETKIF5BETV6KCNH2
SCHEMBL10240020 0.90 MTOR (0.42) KDRRETKIF5BETV6KCNH2
SCHEMBL10240077 0.89 CHEK1 (0.42) KDRRETKIF5BETV6KCNH2
SCHEMBL10240034 0.85 MTOR (0.34) KDRRETKIF5BETV6KCNH2
SCHEMBL10234961 0.84 CHEK1 (0.35) KDRRETKIF5BETV6KCNH2
SCHEMBL10240016 0.83 MTOR (0.42) KDRRETKIF5BETV6KCNH2
SCHEMBL10238176 0.81 CHEK1 (0.41) RETMTORCHEK1CCNA2CDK2
SCHEMBL10240071 0.81 CHEK1 (0.42) KDRRETKIF5BETV6KCNH2
SCHEMBL10234960 0.81 CHEK1 (0.33) KDRRETKIF5BETV6KCNH2

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 KDR 3315/4885RET 1394/4885KIF5B 4184/4885

“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.