SCHEMBL15401775

SCHEMBL15401775

C[Si](C)(C)CCOCn1cc(-c2cccc(C(=N)NO)c2)c2c(N3CCOCC3)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.44
▸ STK4 Q13043 8/20 0.44
▸ STK3 Q13188 8/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HTT P42858 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ GAA P10253 1/20 0.39
▸ MST1 P26927 1/20 0.39
▸ STK26 Q9P289 1/20 0.39

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
SCHEMBL15401774 0.85 LRRK2 (0.46) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL15401773 0.85 LRRK2 (0.46) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL15401848 0.82 LRRK2 (0.55) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL30295952 0.80 KDM4E (0.57) STK4STK3KDM4EALDH1A1HTT
SCHEMBL15401825 0.77 LRRK2 (0.53) LRRK2KDM4EALDH1A1HTTLMNA
SCHEMBL15401625 0.76 LRRK2 (0.53) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL15401734 0.76 LRRK2 (0.56) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL30295809 0.75 LMNA (0.46) LRRK2STK4STK3ALDH1A1HTT
SCHEMBL30295816 0.74 LMNA (0.47) LRRK2STK4STK3KDM4EALDH1A1
SCHEMBL15401783 0.74 MEN1 (0.39) LRRK2STK4STK3KDM4EALDH1A1

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 5 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
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-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 1/4885STK4 246/4885STK3 241/4885
US-20140005183-A1 Novel 4-(Substituted Amino)-7H-Pyrrolo[2,3-d] Pyrimidines As LRRK2 Inhibitors LRRK2, PARK7, BRCA1 LRRK2 1/4885STK4 246/4885STK3 241/4885

“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.

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