SCHEMBL18018869

SCHEMBL18018869

CCCNc1nc(Nc2ccc(C(=O)N3CCC(N4CCOCC4)CC3)cc2OC)nc2[nH]cc(Cl)c12

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 16/20 0.89
▸ DYRK1A Q13627 3/20 0.62
▸ DYRK3 O43781 1/20 0.62
▸ CSNK1E P49674 1/20 0.62
▸ CLK1 P49759 1/20 0.62
▸ CLK2 P49760 1/20 0.62
▸ CLK3 P49761 1/20 0.62
▸ CLK4 Q9HAZ1 1/20 0.62
▸ DYRK1B Q9Y463 1/20 0.62
▸ TTK P33981 1/20 0.57

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
SCHEMBL18018905 0.96 LRRK2 (0.81) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018931 0.94 LRRK2 (0.88) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018902 0.94 LRRK2 (1.00) LRRK2TTK
SCHEMBL22985899 0.91 LRRK2 (0.76) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL22985871 0.91 LRRK2 (0.75) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018962 0.91 LRRK2 (0.75) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018932 0.90 LRRK2 (0.88) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL22264397 0.90 LRRK2 (0.72) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018901 0.90 LRRK2 (0.73) LRRK2DYRK1ADYRK3CSNK1ECLK1
SCHEMBL18018950 0.89 LRRK2 (0.75) LRRK2DYRK1ADYRK3CSNK1ECLK1

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
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 — — US disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 — — US disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 — — WO 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-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 LRRK2 1/4885DYRK1A 1218/4885DYRK3 1893/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 LRRK2 1/4885DYRK1A 1218/4885DYRK3 1893/4885

“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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