SCHEMBL18018792

SCHEMBL18018792

COc1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(Cl)c[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.65
▸ ALK Q9UM73 8/20 0.63
▸ DYRK1A Q13627 5/20 0.55
▸ TTK P33981 3/20 0.55
▸ CLK1 P49759 2/20 0.53
▸ CLK2 P49760 2/20 0.53
▸ CLK3 P49761 2/20 0.53
▸ CLK4 Q9HAZ1 2/20 0.53
▸ DYRK1B Q9Y463 2/20 0.53
▸ BMPR1B O00238 1/20 0.53
▸ PLK4 O00444 1/20 0.53
▸ STK25 O00506 1/20 0.53
▸ RIOK3 O14730 1/20 0.53
▸ CHEK1 O14757 1/20 0.53
▸ CASK O14936 1/20 0.53
▸ AURKA O14965 1/20 0.53
▸ GAK O14976 1/20 0.53
▸ DCLK1 O15075 1/20 0.53
▸ MUSK O15146 1/20 0.53
▸ EPHB6 O15197 1/20 0.53

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
SCHEMBL18018791 0.95 LRRK2 (0.72) LRRK2ALKTTKMAP3K9MKNK2
SCHEMBL22985864 0.88 LRRK2 (0.66) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL22985863 0.87 ALK (0.63) LRRK2ALKDYRK1ATTKCLK1
SCHEMBL18018966 0.86 LRRK2 (0.74) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL18018932 0.86 LRRK2 (0.88) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL18018960 0.86 LRRK2 (0.68) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL22985899 0.85 LRRK2 (0.76) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL18018968 0.85 LRRK2 (0.74) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL18018950 0.84 LRRK2 (0.75) LRRK2DYRK1ATTKCLK1CLK2
SCHEMBL22985893 0.84 LRRK2 (0.72) LRRK2DYRK1ATTKCLK1CLK2

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 1/4885ALK 4666/4885DYRK1A 1218/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 LRRK2 1/4885ALK 4666/4885DYRK1A 1218/4885

“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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