SCHEMBL17166241

SCHEMBL17166241

CC1CCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 1.00
JAK2 O60674 1/20 0.89
JAK1 P23458 1/20 0.89
JAK3 P52333 1/20 0.89
STK3 Q13188 1/20 0.76
STK26 Q9P289 1/20 0.76
MAP4K1 Q92918 2/20 0.75
PRKCQ Q04759 1/20 0.75

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
SCHEMBL15401505 1.00 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3
SCHEMBL15401715 1.00 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3
SCHEMBL17166240 0.94 LRRK2 (1.00) LRRK2JAK2JAK1JAK3MAP4K1
SCHEMBL15400888 0.94 LRRK2 (1.00) LRRK2JAK2JAK1JAK3MAP4K1
SCHEMBL15401241 0.94 LRRK2 (1.00) LRRK2JAK2JAK1JAK3MAP4K1
SCHEMBL15400713 0.94 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3
SCHEMBL15401419 0.89 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3
SCHEMBL15400864 0.87 LRRK2 (1.00) LRRK2STK3STK26
SCHEMBL15401091 0.87 LRRK2 (1.00) LRRK2STK3STK26MAP4K1
SCHEMBL18967695 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
EP-2867236-B1 NOVEL 4-(SUBSTITUTED-AMINO)-7H-PYRROLO[2,3-D]PYRIMIDINES AS LRRK2 INHIBITORS PFIZER (US) 2017-06-14 EP disclosed
US-9642855-B2 Substituted pyrrolo[2,3-d]pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2017-05-09 US disclosed
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-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
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 1/4885JAK2 38/4885JAK1 110/4885

“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.