SCHEMBL18018908

SCHEMBL18018908

COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc(NCC2CCCO2)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 1.00
▸ SLCO1B1 Q9Y6L6 1/20 0.66
▸ TTK P33981 1/20 0.56

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
SCHEMBL18018880 0.88 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18018883 0.86 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18018882 0.86 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18018881 0.85 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL18018916 0.84 LRRK2 (1.00) LRRK2SLCO1B1TTK
SCHEMBL12066681 0.84 LRRK2 (0.81) LRRK2
SCHEMBL18018884 0.82 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL31757153 0.82 LRRK2 (1.00) LRRK2SLCO1B1
SCHEMBL21738431 0.81 LRRK2 (0.79) LRRK2SLCO1B1
SCHEMBL21738426 0.80 LRRK2 (0.75) LRRK2SLCO1B1

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 1/4885SLCO1B1 3171/4885TTK 1181/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 LRRK2 1/4885SLCO1B1 3171/4885TTK 1181/4885

“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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