SCHEMBL18018874

SCHEMBL18018874

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]cc(Cl)c23)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.77
CTSC P53634 10/20 0.77
PLK4 O00444 1/20 0.77
GAK O14976 1/20 0.77
NUAK1 O60285 1/20 0.77
JAK2 O60674 1/20 0.77
FLT3 P36888 1/20 0.77
BLK P51451 1/20 0.77
BMX P51813 1/20 0.77
JAK3 P52333 1/20 0.77
PTK2 Q05397 1/20 0.77
BTK Q06187 1/20 0.77
ITK Q08881 1/20 0.77
ERBB4 Q15303 1/20 0.77
DCLK3 Q9C098 1/20 0.77
NUAK2 Q9H093 1/20 0.77
EML4 Q9HC35 1/20 0.77
EIF2AK4 Q9P2K8 1/20 0.77
ALK Q9UM73 1/20 0.77

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
SCHEMBL12371094 0.93 EGFR (0.72) EGFRCTSCPLK4GAKNUAK1
SCHEMBL2047564 0.91 EGFR (0.63) EGFRCTSCPLK4GAKNUAK1
SCHEMBL18018943 0.90 EGFR (0.69) EGFRCTSCPLK4GAKNUAK1
SCHEMBL10127995 0.87 EGFR (0.80) EGFRCTSCPLK4GAKNUAK1
SCHEMBL29733655 0.87 EGFR (1.00) EGFRCTSCPLK4GAKNUAK1
SCHEMBL29354966 0.87 EGFR (1.00) EGFRCTSCPLK4GAKNUAK1
SCHEMBL93699 0.87 EGFR (1.00) EGFRCTSCPLK4GAKNUAK1
SCHEMBL12371098 0.86 CTSC (0.74) EGFRCTSCPLK4GAKNUAK1
SCHEMBL1706773 0.85 EGFR (0.97) EGFRCTSCPLK4GAKNUAK1
SCHEMBL2040938 0.85 EGFR (0.74) EGFRCTSCPLK4GAKNUAK1

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 EGFR 2819/4885CTSC 2039/4885PLK4 1770/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 EGFR 2819/4885CTSC 2039/4885PLK4 1770/4885

“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.