SCHEMBL10240040

SCHEMBL10240040

C[C@@H](O)C(=O)N1CCC(c2nc3c(-c4ccc(-c5ccc6c(c5)CCO6)nc4)cnn3c(N)c2C=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.38
HSP90AB1 P08238 3/20 0.38
CYP11B2 P19099 2/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PIK3CA P42336 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DYRK1A Q13627 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 3/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32

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
SCHEMBL10240044 0.92 HSP90AA1 (0.37) HSP90AA1HSP90AB1PIK3CARAB9ASMN1; SMN2
SCHEMBL10239999 0.90 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP11B2KDM4EALDH1A1
SCHEMBL10234904 0.90 HSP90AA1 (0.39) HSP90AA1HSP90AB1CYP11B2PDE4APDE4B
SCHEMBL10240036 0.90 KDM4E (0.36) HSP90AA1HSP90AB1CYP11B2PDE4APDE4B
SCHEMBL10240038 0.88 MTOR (0.34) PDE4DPIK3CAMTORPIK3CDHCK
SCHEMBL10240035 0.87 CYP11B2 (0.32) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL10240082 0.85 PDE4A (0.35) CYP11B2PDE4APDE4BPDE4CPDE4D
SCHEMBL10240026 0.85 RAB9A (0.37) KDM4EALDH1A1PIK3CARAB9ASMN1; SMN2
SCHEMBL10240078 0.84 MTOR (0.43) KDM4EALDH1A1PIK3CARAB9AMAPT
SCHEMBL10240027 0.84 MTOR (0.35) KDM4EALDH1A1PIK3CARAB9ASMN1; SMN2

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 HSP90AA1 617/4885HSP90AB1 554/4885CYP11B2 2145/4885

“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.