SCHEMBL18018889

SCHEMBL18018889

CC(C)Oc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2nc[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 15/20 0.60
▸ INSR P06213 10/20 0.60
▸ FGFR1 P11362 2/20 0.60
▸ FGFR2 P21802 2/20 0.60
▸ FGFR4 P22455 2/20 0.60
▸ FGFR3 P22607 2/20 0.60
▸ NPM1 P06748 6/20 0.54
▸ BMPR1B O00238 2/20 0.54
▸ PLK4 O00444 2/20 0.54
▸ GAK O14976 2/20 0.54
▸ ERN1 O75460 2/20 0.54
▸ STK10 O94804 2/20 0.54
▸ ABL1 P00519 2/20 0.54
▸ EGFR P00533 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ FES P07332 2/20 0.54
▸ YES1 P07947 2/20 0.54
▸ IGF1R P08069 2/20 0.54
▸ HCK P08631 2/20 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
SCHEMBL18018896 0.95 ALK (0.53) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018798 0.90 TTK (0.54) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018898 0.89 MAPK7 (0.48) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL18018900 0.83 MAPK7 (0.55) ALKINSREGFRIGF1RLRRK2
SCHEMBL1545735 0.83 ALK (0.61) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL19921103 0.83 ALK (0.78) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL22985915 0.81 ALK (0.54) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL3953268 0.81 ALK (0.55) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL3956400 0.81 ALK (0.62) ALKINSRFGFR1FGFR2FGFR4
SCHEMBL21150135 0.81 ALK (0.64) 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-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 3775/4885FGFR1 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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