SCHEMBL4133368

SCHEMBL4133368

COc1ccc(N2CCN(Cc3cc4cnc(C#N)nc4n3-c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.55
SMO Q99835 1/20 0.47
CTSS P25774 8/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 3/20 0.44
CTSL P07711 3/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GFER P55789 1/20 0.43
DRD4 P21917 1/20 0.43
CTSC P53634 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL4142474 0.93 CTSK (0.51) CTSKCTSSMAPTSMN1; SMN2TSHR
SCHEMBL4137153 0.89 CTSK (0.46) CTSKSMOCTSSLMNATSHR
SCHEMBL4145293 0.86 CTSS (0.48) CTSKCTSSCTSL
SCHEMBL4133363 0.83 CTSS (0.66) CTSKCTSSMAPTCTSLCTSC
SCHEMBL4142649 0.83 CTSK (0.80) CTSKCTSSCTSLCTSC
SCHEMBL13924780 0.83 CTSK (0.61) CTSKCTSSMAPTLMNASMN1; SMN2
SCHEMBL4133131 0.81 CTSK (0.59) CTSKCTSSMAPTLMNASMN1; SMN2
SCHEMBL4141268 0.78 CTSS (0.57) CTSKCTSSSMN1; SMN2CTSLNPSR1
SCHEMBL4151126 0.78 CTSS (0.69) CTSKCTSSCTSL
SCHEMBL8361465 0.78 CTSK (0.82) CTSKCTSSCTSL

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 1/4885SMO 3818/4885CTSS 2/4885

“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.