SCHEMBL18018865

SCHEMBL18018865

COc1cc(N2CCC(O)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2nc[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.68
▸ FES P07332 2/20 0.64
▸ FLT3 P36888 2/20 0.64
▸ ALK Q9UM73 11/20 0.62
▸ INSR P06213 5/20 0.62
▸ IGF1R P08069 5/20 0.62
▸ ZAP70 P43403 3/20 0.60
▸ EGFR P00533 3/20 0.54
▸ GAK O14976 2/20 0.54
▸ INSRR P14616 2/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LTK P29376 2/20 0.54
▸ CLK1 P49759 2/20 0.54
▸ PTK2 Q05397 2/20 0.54
▸ TNK2 Q07912 2/20 0.54
▸ TNK1 Q13470 2/20 0.54
▸ PTK2B Q14289 2/20 0.54
▸ ULK1 O75385 2/20 0.54
▸ BMPR1B O00238 1/20 0.54
▸ PLK4 O00444 1/20 0.54

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
SCHEMBL18018886 0.93 TTK (0.63) TTKFESFLT3ALKINSR
SCHEMBL18018796 0.92 TTK (0.80) TTKFESFLT3ALKINSR
SCHEMBL18018887 0.91 ALK (0.76) TTKFESFLT3ALKINSR
SCHEMBL22985929 0.87 TTK (0.57) TTKFESFLT3ALKINSR
SCHEMBL18018799 0.86 TTK (0.70) TTKFESFLT3ALKINSR
SCHEMBL3954360 0.85 FES (0.86) TTKFESFLT3ALKINSR
SCHEMBL3958838 0.83 ALK (0.65) TTKFESFLT3ALKINSR
SCHEMBL18018899 0.83 ALK (0.53) TTKFESFLT3ALKINSR
SCHEMBL18018885 0.83 ZAP70 (0.62) TTKALKINSRIGF1RZAP70
SCHEMBL18018897 0.81 ALK (0.63) TTKFESFLT3ALKINSR

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 TTK 1181/4885FES 4037/4885FLT3 4356/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 TTK 1181/4885FES 4037/4885FLT3 4356/4885

“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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