SCHEMBL10240048

SCHEMBL10240048

CC(=O)Nc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)C(C)(CO)CO)CC5)nc34)cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.37
KDR P35968 11/20 0.37
SRC P12931 10/20 0.37
HCK P08631 10/20 0.37
MEN1 O00255 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CLK1 P49759 1/20 0.36
ABL1 P00519 2/20 0.34
RET P07949 2/20 0.34
KIT P10721 2/20 0.34

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
SCHEMBL10240146 0.91 MTOR (0.41) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL7884556 0.90 LCK (0.38) LCKKDRSRCHCKMEN1
SCHEMBL7886260 0.86 CHEK1 (0.40) LCKKDRSRCHCKMEN1
SCHEMBL10240053 0.85 CHEK1 (0.34) LCKKDRSRCHCKRET
SCHEMBL10240045 0.85 PIK3CA (0.35) LCKKDRSRCHCKMEN1
SCHEMBL10240035 0.83 CYP11B2 (0.32) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL10234687 0.81 MTOR (0.40) LCKKDRSRCHCKMEN1
SCHEMBL7882675 0.81 KDM4E (0.38) KDRMEN1NPC1RAB9AKMT2A
SCHEMBL10234883 0.80 KMT2A (0.39) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL10234649 0.80 CHEK1 (0.43) KDRMEN1NPC1RAB9AKMT2A

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 LCK 1161/4885KDR 3315/4885SRC 1455/4885

“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.