SCHEMBL17604333

SCHEMBL17604333

CC(C)c1nn(C)c(C(N)=O)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
MAPK8 P45983 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PRKCQ Q04759 1/20 0.35
ACVR1 Q04771 1/20 0.35
ROCK1 Q13464 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL28131939 0.81 SMN1; SMN2 (0.36) SMN1; SMN2MAPK8DAPK3PRKD3MAP4K4
SCHEMBL10920040 0.81
SCHEMBL20334806 0.80 RET (0.37)
SCHEMBL20334646 0.77 RIPK2 (0.32) SMN1; SMN2KDR
SCHEMBL20334949 0.76
SCHEMBL1095 0.75 PIM3 (0.49) SMN1; SMN2MAPK8DAPK3PRKD3MAP4K4
SCHEMBL20334823 0.74 RET (0.38) MAPK8DAPK3PRKD3MAP4K4PRKACA
SCHEMBL20589399 0.74 SMN1; SMN2 (0.36) SMN1; SMN2MAPK8DAPK3PRKD3MAP4K4
SCHEMBL7008426 0.74 SMN1; SMN2 (0.42) SMN1; SMN2MAPK8DAPK3PRKD3MAP4K4
Hydrochloric Acid SCHEMBL10919018 0.73 PIM3 (0.47) SMN1; SMN2MAPK8DAPK3PRKD3MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638227-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-04-22 EP disclosed
WO-2018229079-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB BIOPHARMA SPRL (BE) 2018-12-20 WO disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A SMN1; SMN2 3083/4885MAPK8 3225/4885DAPK3 3105/4885

“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.