SCHEMBL4528342

SCHEMBL4528342

NC(=O)N1CCc2c(cnn2C[C@@H](O)CN2CCCCC2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.36
PRMT5 O14744 6/20 0.35
WDR77 Q9BQA1 6/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
ATM Q13315 1/20 0.34
PLK1 P53350 1/20 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
SCHEMBL4528343 1.00 CTSS (0.42) CTSSMEN1KMT2AHSD17B10PRMT5
SCHEMBL4522695 0.85 HRH3 (0.41) CTSSMEN1KMT2AHSD17B10PRMT5
SCHEMBL4522700 0.85 HRH3 (0.41) CTSSMEN1KMT2AHSD17B10PRMT5
SCHEMBL4523482 0.84 HRH3 (0.46) CTSSMEN1KMT2APRMT5WDR77
SCHEMBL4523488 0.84 HRH3 (0.46) CTSSMEN1KMT2APRMT5WDR77
SCHEMBL4533839 0.84 HRH3 (0.38) CTSSMEN1KMT2APOLBATM
SCHEMBL4533844 0.84 HRH3 (0.38) CTSSMEN1KMT2APOLBATM
SCHEMBL4537456 0.83 HRH3 (0.41) MEN1KMT2APRMT5WDR77
SCHEMBL4537453 0.83 HRH3 (0.41) MEN1KMT2APRMT5WDR77
SCHEMBL4530187 0.81 NPC1 (0.49) MEN1KMT2APRMT5WDR77ATM

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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2009-04-16 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-20090099157-A1 TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S CTSS, CTSE, CTSK CTSS 1/4885MEN1 4868/4885KMT2A 4175/4885

“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.