SCHEMBL18018892

SCHEMBL18018892

CNC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCC(O)CC4)cc3OC)nc3[nH]cnc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.50
▸ PTK2 Q05397 4/20 0.49
▸ IGF1R P08069 3/20 0.49
▸ ALK Q9UM73 3/20 0.49
▸ INSR P06213 2/20 0.49
▸ ULK1 O75385 1/20 0.48
▸ EGFR P00533 4/20 0.47
▸ FES P07332 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ CDC7 O00311 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ DCLK1 O15075 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ DAPK3 O43293 1/20 0.47
▸ DYRK3 O43781 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ PAK4 O96013 1/20 0.47

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
SCHEMBL18018913 0.93 EGFR (0.51) TTKPTK2IGF1RALKINSR
SCHEMBL18018904 0.91 LRRK2 (0.51) TTKIGF1RALKINSREGFR
SCHEMBL18018891 0.90 TTK (0.48) TTKPTK2IGF1RALKINSR
SCHEMBL18018861 0.90 TTK (0.48) TTKPTK2IGF1RALKINSR
SCHEMBL18018866 0.90 EGFR (0.49) TTKIGF1RALKINSREGFR
SCHEMBL18018888 0.87 ALK (0.49) TTKPTK2IGF1RALKINSR
SCHEMBL18018868 0.87 EGFR (0.47) TTKPTK2IGF1RALKINSR
SCHEMBL18018863 0.87 ALK (0.49) TTKIGF1RALKINSREGFR
SCHEMBL18018890 0.85 JAK3 (0.45) TTKPTK2ALKEGFRFES
SCHEMBL18018918 0.85 EGFR (0.47) TTKPTK2ALKEGFRFES

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 TTK 1181/4885PTK2 574/4885IGF1R 2793/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 TTK 1181/4885PTK2 574/4885IGF1R 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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