SCHEMBL4142474

SCHEMBL4142474

COc1cccc(N2CCN(Cc3cc4cnc(C#N)nc4n3-c3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.51
KDM4E B2RXH2 2/20 0.47
GFER P55789 1/20 0.47
DRD4 P21917 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 3/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 2/20 0.43
KCNH2 Q12809 1/20 0.43
USP2 O75604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTSS P25774 3/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4133368 0.93 CTSK (0.55) CTSKGFERDRD4SMN1; SMN2MAPT
SCHEMBL4137153 0.89 CTSK (0.46) CTSKKDM4EDRD4TSHRDRD2
SCHEMBL4142471 0.85 CTSK (0.59) CTSKKDM4EGFERALDH1A1SMN1; SMN2
SCHEMBL13924781 0.85 CTSK (0.55) CTSKKDM4EGFERDRD4ALDH1A1
SCHEMBL4133836 0.85 CTSK (0.72) CTSKKDM4EGFERCTSS
SCHEMBL4137299 0.83 CTSK (0.53) CTSKKDM4EGFERDRD4ALDH1A1
SCHEMBL4145293 0.83 CTSS (0.48) CTSKKDM4EDRD2CTSS
SCHEMBL4141268 0.76 CTSS (0.57) CTSKKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8361465 0.76 CTSK (0.82) CTSKCTSS
SCHEMBL4133363 0.76 CTSS (0.66) CTSKMAPTCTSS

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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 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-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ CTSK 1/4885KDM4E 2382/4885GFER 3763/4885

“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.