SCHEMBL15401331

SCHEMBL15401331

C[C@H]1CCCN(c2ncnc3[nH]cc(-c4ccccc4)c23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00
JAK2 O60674 1/20 0.73
JAK1 P23458 1/20 0.73
JAK3 P52333 1/20 0.73
CDC7 O00311 1/20 0.70
ROS1 P08922 1/20 0.70
KIT P10721 1/20 0.70
MARK3 P27448 1/20 0.70
FLT3 P36888 1/20 0.70
CDK8 P49336 1/20 0.70
MAP2K1 Q02750 1/20 0.70
MAP3K10 Q02779 1/20 0.70
STK3 Q13188 1/20 0.70
MELK Q14680 1/20 0.70
MARK4 Q96L34 1/20 0.70
CAMKK2 Q96RR4 1/20 0.70
SIK2 Q9H0K1 1/20 0.70
CAMK2A Q9UQM7 1/20 0.70

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
SCHEMBL15400768 0.90 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967276 0.90 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967659 0.88 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401385 0.88 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401398 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967666 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL18967910 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401300 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15402333 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3
SCHEMBL15401095 0.87 LRRK2 (1.00) LRRK2JAK2JAK1JAK3

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 14 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-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-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 1/4885JAK2 38/4885JAK1 110/4885
US-20140005183-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.