SCHEMBL10240036

SCHEMBL10240036

Nc1c(C=O)c(C2CCN(C(=O)CO)CC2)nc2c(-c3ccc(-c4ccc5c(c4)CCO5)nc3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MET P08581 2/20 0.34
DYRK1A Q13627 1/20 0.33
NSD2 O96028 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK10 P53779 3/20 0.33
NTRK1 P04629 1/20 0.33
PLAU P00749 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CHEK1 O14757 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 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
SCHEMBL10240035 0.91 CYP11B2 (0.32) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL10240040 0.90 HSP90AA1 (0.38) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL10240082 0.87 PDE4A (0.35) KDM4EALDH1A1PDE4APDE4BPDE4C
SCHEMBL10240057 0.87 GRM5 (0.39) METHSP90AA1HSP90AB1CHEK1MTOR
SCHEMBL10240064 0.85 MET (0.33) METCHEK1MTORRPTORMLST8
SCHEMBL10240142 0.85 MTOR (0.43) KDM4EALDH1A1METMAPTRAB9A
SCHEMBL10240055 0.84 MET (0.34) METCHEK1MTORRPTORMLST8
SCHEMBL10240062 0.83 TMEM97 (0.34) METCHEK1MTORRPTORMLST8
SCHEMBL10240045 0.82 PIK3CA (0.35) ALDH1A1RAB9ASMN1; SMN2NTRK1CHEK1
SCHEMBL10240063 0.82 MTOR (0.35) METCHEK1MTORRPTORMLST8

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 KDM4E 1448/4885ALDH1A1 3479/4885PDE4A 2061/4885

“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.