SCHEMBL18018967

SCHEMBL18018967

C=CC(=O)Nc1ccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc3[nH]ccc23)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.79
EGFR P00533 13/20 0.72
JAK3 P52333 6/20 0.69
JAK2 O60674 4/20 0.69
BTK Q06187 4/20 0.69
JAK1 P23458 3/20 0.69
KCNH2 Q12809 1/20 0.69
PTK2 Q05397 3/20 0.61
FLT3 P36888 2/20 0.61
BLK P51451 2/20 0.61
CTSC P53634 2/20 0.61
PLK4 O00444 1/20 0.61
GAK O14976 1/20 0.61
NUAK1 O60285 1/20 0.61
BMX P51813 1/20 0.61
ITK Q08881 1/20 0.61
ERBB4 Q15303 1/20 0.61
DCLK3 Q9C098 1/20 0.61
NUAK2 Q9H093 1/20 0.61
EML4 Q9HC35 1/20 0.61

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
SCHEMBL10127995 0.92 EGFR (0.80) MAP3K7EGFRJAK3JAK2BTK
SCHEMBL18018965 0.89 EGFR (0.65) MAP3K7EGFRJAK3JAK2BTK
SCHEMBL18018785 0.88 MAP3K7 (1.00) MAP3K7EGFRJAK3JAK2BTK
SCHEMBL10155134 0.84 EGFR (1.00) EGFRJAK3JAK2BTKPTK2
SCHEMBL15453409 0.82 EGFR (1.00) MAP3K7EGFRJAK3JAK2BTK
SCHEMBL2040938 0.81 EGFR (0.74) EGFRJAK3JAK2BTKJAK1
SCHEMBL18018946 0.81 NUAK2 (0.67) EGFRJAK3JAK2BTKJAK1
SCHEMBL15111952 0.81 JAK3 (0.72) EGFRJAK3JAK2BTKJAK1
SCHEMBL17209808 0.81 JAK3 (1.00) EGFRJAK3JAK2BTKJAK1
SCHEMBL18501688 0.81 JAK3 (0.80) EGFRJAK3JAK2BTKJAK1

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 MAP3K7 166/4885EGFR 2819/4885JAK3 2087/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 MAP3K7 166/4885EGFR 2819/4885JAK3 2087/4885

“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.