SCHEMBL17166234

SCHEMBL17166234

CC(C)(C)N1CCOC(c2nccs2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
KRAS P01116 1/20 0.36
KIF11 P52732 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL17166456 0.81 LRRK2 (0.39) LRRK2KRASKIF11DRD2DRD3
SCHEMBL18997551 0.78 KRAS (0.45) LRRK2KRAS
SCHEMBL3654356 0.74 DRD4 (0.41) KIF11
SCHEMBL28182364 0.73 LRRK2 (0.39) LRRK2KRAS
SCHEMBL19002452 0.72 KRAS (0.45) LRRK2KRAS
SCHEMBL17886893 0.71 HRH3 (0.45)
SCHEMBL9742165 0.70 PIK3CA (0.35) DRD2DRD3
SCHEMBL2050325 0.68 KIF11 (0.40) LRRK2KIF11
SCHEMBL13093625 0.68 CNR2 (0.45) DRD3
SCHEMBL12363949 0.68 CNR2 (0.45) DRD3

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 29/4885KIF11 2510/4885

“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.