SCHEMBL10280573

SCHEMBL10280573

C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(-c2ccccc2)c(N2CCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.32
KIF5B P33176 3/20 0.32
KDR P35968 3/20 0.32
ETV6 P41212 3/20 0.32
HDAC1 Q13547 1/20 0.32
NPC1 O15118 5/20 0.31
RAB9A P51151 4/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CASP3 P42574 2/20 0.31
SENP8 Q96LD8 2/20 0.31
SENP7 Q9BQF6 2/20 0.31
SENP6 Q9GZR1 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CCDC6 Q16204 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL10280674 0.91 HDAC1 (0.32) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL590602 0.90 HDAC1 (0.33) HDAC1PDE10A
SCHEMBL10238680 0.88 PIK3CA (0.30) HDAC1PIK3CAMTOR
SCHEMBL7883231 0.88 HDAC1 (0.31) HDAC1PDE10A
SCHEMBL10238676 0.87 HDAC1 (0.33) HDAC1PDE10A
SCHEMBL10238603 0.84 PDE10A (0.32) HDAC1PDE10A
SCHEMBL2725892 0.81 PIK3CA (0.34) NPC1RAB9AMEN1KMT2APIK3CA
SCHEMBL583583 0.80 HDAC1 (0.39) HDAC1NPC1RAB9AKDM4EMAPT
SCHEMBL6889950 0.80 CHEK1 (0.32) PIK3CAMTOR
SCHEMBL10238716 0.79 PIK3CA (0.31) PIK3CAMTOR

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

“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.