SCHEMBL18018918

SCHEMBL18018918

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2cccc(C(=O)NCc3ccccc3C(F)(F)F)c2)c2nc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.47
▸ PTK2 Q05397 2/20 0.46
▸ ALK Q9UM73 3/20 0.45
▸ GAK O14976 1/20 0.45
▸ FES P07332 1/20 0.45
▸ FER P16591 1/20 0.45
▸ ERBB3 P21860 1/20 0.45
▸ TEC P42680 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ TNK1 Q13470 1/20 0.45
▸ TTK P33981 1/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL18018888 0.91 ALK (0.49) EGFRPTK2ALKFESFER
SCHEMBL18018861 0.89 TTK (0.48) EGFRPTK2ALKFESJAK3
SCHEMBL18018890 0.89 JAK3 (0.45) EGFRPTK2ALKGAKFES
SCHEMBL22985882 0.87 EGFR (0.48) EGFRPTK2ALKGAKFES
SCHEMBL18018913 0.86 EGFR (0.51) EGFRPTK2ALKFESTTK
SCHEMBL18018892 0.85 TTK (0.50) EGFRPTK2ALKFESFER
SCHEMBL18018863 0.85 ALK (0.49) EGFRALKFESJAK3BTK
SCHEMBL18018904 0.83 LRRK2 (0.51) EGFRALKFESTTK
SCHEMBL18018868 0.82 EGFR (0.47) EGFRPTK2ALKFESFER
SCHEMBL18018866 0.81 EGFR (0.49) EGFRALKFESTTK

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 EGFR 2819/4885PTK2 574/4885ALK 4666/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 EGFR 2819/4885PTK2 574/4885ALK 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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