SCHEMBL18018899

SCHEMBL18018899

CCN(CC)C1CCN(c2ccc(Nc3nc(Nc4ccccc4S(C)(=O)=O)c4nc[nH]c4n3)c(OC(C)C)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.53
▸ INSR P06213 4/20 0.53
▸ FGFR1 P11362 2/20 0.53
▸ FGFR2 P21802 2/20 0.53
▸ FGFR4 P22455 2/20 0.53
▸ FGFR3 P22607 2/20 0.53
▸ TTK P33981 4/20 0.52
▸ IGF1R P08069 3/20 0.51
▸ FES P07332 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ ZAP70 P43403 4/20 0.48
▸ BMPR1B O00238 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ STK25 O00506 1/20 0.47
▸ RIOK3 O14730 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ CASK O14936 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ DCLK1 O15075 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
SCHEMBL18018886 0.90 TTK (0.63) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL22985895 0.89 ALK (0.45) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL3950201 0.87 FES (0.66) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL3953378 0.85 ALK (0.55) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018865 0.83 TTK (0.68) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018897 0.82 ALK (0.63) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018887 0.81 ALK (0.76) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018885 0.80 ZAP70 (0.62) ALKINSRTTKIGF1RZAP70
SCHEMBL18018799 0.80 TTK (0.70) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018796 0.79 TTK (0.80) ALKINSRFGFR1FGFR2FGFR4

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 ALK 4666/4885INSR 3775/4885FGFR1 3675/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 ALK 4666/4885INSR 3775/4885FGFR1 3675/4885

“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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