SCHEMBL17166456

SCHEMBL17166456

CN1CCOC(c2nccs2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
KRAS P01116 1/20 0.38
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PDE8A O60658 2/20 0.31
PDE8B O95263 2/20 0.31
SLC6A4 P31645 4/20 0.31
HRH3 Q9Y5N1 2/20 0.31
DRD4 P21917 2/20 0.31
PIK3C3 Q8NEB9 1/20 0.30
CYP2D6 P10635 3/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A3 Q01959 3/20 0.30
KCNH2 Q12809 1/20 0.30
KIF11 P52732 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
SCHEMBL17166234 0.81 LRRK2 (0.37) LRRK2KRASDRD2DRD3KIF11
SCHEMBL28182364 0.77 LRRK2 (0.39) LRRK2KRAS
SCHEMBL23497183 0.76 KRAS (0.47) LRRK2KRASDRD4
SCHEMBL19002452 0.76 KRAS (0.45) LRRK2KRASDRD4
SCHEMBL18997551 0.76 KRAS (0.45) LRRK2KRASDRD4
SCHEMBL28860098 0.74 DRD4 (0.34) LRRK2DRD2DRD3SLC6A4HRH3
SCHEMBL12539252 0.71 DRD4 (0.43) DRD4
SCHEMBL2050325 0.71 KIF11 (0.40) LRRK2KIF11
SCHEMBL27373358 0.71 ELOVL1 (0.44) LRRK2CCNT1CDK9SLC6A4HRH3
SCHEMBL27766777 0.70 KIF11 (0.37) LRRK2HRH3KCNH2KIF11

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
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
US-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors PFIZER INC. (US) 2015-12-24 US disclosed
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 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-20150366874-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d]Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 LRRK2 1/4885KRAS 29/4885CCNT1 297/4885

“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.