SCHEMBL18018902

SCHEMBL18018902

CCCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)nc2[nH]cc(Cl)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 19/20 1.00
▸ TTK P33981 1/20 0.61
▸ MAP3K9 P80192 1/20 0.61
▸ MKNK2 Q9HBH9 1/20 0.61
▸ SLCO1B1 Q9Y6L6 1/20 0.59

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
SCHEMBL18018869 0.94 LRRK2 (0.89) LRRK2TTK
SCHEMBL18018906 0.94 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2SLCO1B1
SCHEMBL18018905 0.90 LRRK2 (0.81) LRRK2TTK
SCHEMBL29429993 0.90 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2
SCHEMBL18018784 0.90 LRRK2 (1.00) LRRK2TTKMAP3K9MKNK2
SCHEMBL22264264 0.89 LRRK2 (0.81) LRRK2TTKSLCO1B1
SCHEMBL18018931 0.88 LRRK2 (0.88) LRRK2TTK
SCHEMBL17980593 0.86 LRRK2 (0.81) LRRK2TTKMAP3K9MKNK2SLCO1B1
SCHEMBL24556862 0.86 LRRK2 (0.77) LRRK2MAP3K9MKNK2SLCO1B1
SCHEMBL18018883 0.86 LRRK2 (1.00) 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-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 1181/4885MAP3K9 284/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 LRRK2 1/4885TTK 1181/4885MAP3K9 284/4885

“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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