SCHEMBL15401565

SCHEMBL15401565

Cn1cc(-c2c[nH]c3ncnc(N4CCSCC4)c23)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 1.00
STK3 Q13188 3/20 0.52
CDC7 O00311 1/20 0.52
ROS1 P08922 1/20 0.52
KIT P10721 1/20 0.52
MARK3 P27448 1/20 0.52
FLT3 P36888 1/20 0.52
CDK8 P49336 1/20 0.52
MAP2K1 Q02750 1/20 0.52
MAP3K10 Q02779 1/20 0.52
MELK Q14680 1/20 0.52
MARK4 Q96L34 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
SIK2 Q9H0K1 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
CDC42BPB Q9Y5S2 1/20 0.52
STK4 Q13043 2/20 0.51

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
SCHEMBL15401053 0.87 LRRK2 (1.00) LRRK2STK3STK4
SCHEMBL31123686 0.87 LRRK2 (1.00) LRRK2STK3STK4
SCHEMBL15401396 0.85 LRRK2 (1.00) LRRK2STK3CDC7MARK3ROCK2
SCHEMBL18967297 0.81 LRRK2 (1.00) LRRK2
SCHEMBL16835829 0.81 ROCK2 (0.79) LRRK2ROCK2ROCK1CDC42BPB
SCHEMBL15401709 0.81 LRRK2 (1.00) LRRK2
SCHEMBL18967256 0.79 LRRK2 (1.00) LRRK2
SCHEMBL15401566 0.79 LRRK2 (1.00) LRRK2STK3
SCHEMBL18967287 0.79 LRRK2 (1.00) LRRK2STK3
SCHEMBL15401152 0.79 LRRK2 (1.00) LRRK2STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US claimed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 US claimed
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-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
US-9156845-B2 4-(substituted amino)-7H-pyrrolo[2,3-d] pyrimidines as LRRK2 inhibitors PFIZER INC. (US) 2015-10-13 US disclosed
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors PFIZER (US) 2014-01-02 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 (2 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 1/4885STK3 241/4885CDC7 876/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 LRRK2 1/4885STK3 241/4885CDC7 876/4885

“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.