SCHEMBL18018914

SCHEMBL18018914

C=CC(=O)Nc1ccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]cnc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 9/20 0.75
NUAK1 O60285 1/20 0.66
BTK Q06187 6/20 0.63
EGFR P00533 5/20 0.63
JAK3 P52333 5/20 0.63
JAK2 O60674 3/20 0.63
KCNH2 Q12809 2/20 0.63
JAK1 P23458 2/20 0.63
BLK P51451 2/20 0.58
BMX P51813 1/20 0.58
ABCB11 O95342 1/20 0.58
ESR1 P03372 1/20 0.58
CHRM2 P08172 1/20 0.58
HTR1A P08908 1/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
TBXA2R P21731 1/20 0.58
SLC6A2 P23975 1/20 0.58

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
SCHEMBL10127730 0.91 NUAK1 (0.80) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL18018907 0.87 MAP3K7 (0.57) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL18018785 0.86 MAP3K7 (1.00) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL18018867 0.84 MAP3K7 (0.73) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL30672822 0.84 NUAK1 (0.68) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL16370570 0.84 NUAK1 (0.68) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL18018921 0.83 MAP3K7 (0.78) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL16706359 0.83 NUAK1 (0.68) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL30672915 0.82 NUAK1 (0.66) MAP3K7NUAK1BTKEGFRJAK3
SCHEMBL16371170 0.82 NUAK1 (0.66) MAP3K7NUAK1BTKEGFRJAK3

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 166/4885NUAK1 839/4885BTK 1150/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 MAP3K7 166/4885NUAK1 839/4885BTK 1150/4885

“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.