SCHEMBL10240003

SCHEMBL10240003

Nc1c(C=O)c(C2CCN(C(=O)CC3NC(=O)NC3=O)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
RPTOR Q8N122 4/20 0.40
MLST8 Q9BVC4 4/20 0.40
MMP13 P45452 1/20 0.36
ADAMTS5 Q9UNA0 4/20 0.35
ADAMTS4 O75173 1/20 0.35
CHEK1 O14757 4/20 0.34
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 4/20 0.34
RET P07949 3/20 0.34
KIF5B P33176 3/20 0.34
KDR P35968 3/20 0.34
ETV6 P41212 3/20 0.34
KCNH2 Q12809 3/20 0.34
CCDC6 Q16204 3/20 0.34
HTR2B P41595 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
NPC1 O15118 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
SCHEMBL10234800 0.91 CHEK1 (0.42) MTORRPTORMLST8MMP13ADAMTS5
SCHEMBL10234833 0.90 MTOR (0.39) MTORRPTORMLST8MMP13ADAMTS5
SCHEMBL10240142 0.89 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240005 0.85 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240006 0.83 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7882335 0.82 MTOR (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240017 0.82 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240021 0.82 TMEM97 (0.43) MTORRPTORMLST8KCNH2NPC1
SCHEMBL10240146 0.82 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10240023 0.81 MTOR (0.41) MTORRPTORMLST8CHEK1CCNA2

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 MTOR 1/4885RPTOR 3/4885MLST8 15/4885

“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.