SCHEMBL18018863

SCHEMBL18018863

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2cccc(C(=O)NCc3cccnc3)c2)c2nc[nH]c2n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 5/20 0.49
▸ INSR P06213 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ TTK P33981 6/20 0.44
▸ JAK3 P52333 6/20 0.43
▸ EGFR P00533 4/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ FES P07332 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TXK P42681 1/20 0.42
▸ BLK P51451 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ ITK Q08881 1/20 0.42

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
SCHEMBL18018861 0.93 TTK (0.48) ALKINSRIGF1RTTKJAK3
SCHEMBL18018866 0.90 EGFR (0.49) ALKINSRIGF1RTTKEGFR
SCHEMBL18018890 0.89 JAK3 (0.45) ALKTTKJAK3EGFRFES
SCHEMBL18018888 0.87 ALK (0.49) ALKINSRIGF1RTTKEGFR
SCHEMBL18018892 0.87 TTK (0.50) ALKINSRIGF1RTTKEGFR
SCHEMBL18018913 0.85 EGFR (0.51) ALKINSRIGF1RTTKEGFR
SCHEMBL18018918 0.85 EGFR (0.47) ALKTTKJAK3EGFRFES
SCHEMBL18018904 0.84 LRRK2 (0.51) ALKINSRIGF1RTTKEGFR
SCHEMBL18018868 0.83 EGFR (0.47) ALKINSRIGF1RTTKEGFR
SCHEMBL18018891 0.82 TTK (0.48) ALKINSRIGF1RTTKEGFR

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 ALK 4666/4885INSR 3775/4885IGF1R 2793/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 ALK 4666/4885INSR 3775/4885IGF1R 2793/4885

“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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