SCHEMBL18018791

SCHEMBL18018791

COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2c(Cl)c[nH]c2n1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 16/20 0.72
▸ TTK P33981 2/20 0.59
▸ ALK Q9UM73 2/20 0.56
▸ MAP3K9 P80192 1/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55

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
SCHEMBL18018792 0.95 LRRK2 (0.65) LRRK2TTKALKMAP3K9MKNK2
SCHEMBL10207598 0.87 ALK (0.72) LRRK2ALKMAP3K9MKNK2
SCHEMBL22985867 0.87 LRRK2 (0.73) LRRK2TTKMAP3K9MKNK2
SCHEMBL18018784 0.84 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2
SCHEMBL29429993 0.84 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2
SCHEMBL12918402 0.83 LRRK2 (0.66) LRRK2TTKALKMAP3K9MKNK2
SCHEMBL22985863 0.83 ALK (0.63) LRRK2TTKALKMAP3K9MKNK2
SCHEMBL18018906 0.82 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2
SCHEMBL22985864 0.82 LRRK2 (0.66) LRRK2TTKMAP3K9MKNK2
SCHEMBL17980593 0.81 LRRK2 (0.81) LRRK2TTKMAP3K9MKNK2

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-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP 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
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 1/4885TTK 1181/4885ALK 4666/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 LRRK2 1/4885TTK 1181/4885ALK 4666/4885

“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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