SCHEMBL10293128

SCHEMBL10293128

CC(=O)Nc1cccc(-c2ccnc3[nH]cc(C(=O)c4cccc(O)c4)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.47
PLK1 P53350 1/20 0.47
FYN P06241 4/20 0.47
NTRK1 P04629 1/20 0.45
EGFR P00533 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42
BRAF P15056 1/20 0.42
KIT P10721 1/20 0.42
RIPK1 Q13546 1/20 0.41
USP7 Q93009 2/20 0.41
JAK3 P52333 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL1364283 0.88 LRRK2 (0.52) LRRK2FYNNTRK1MEN1KMT2A
SCHEMBL878789 0.86 EGFR (0.49) LRRK2PLK1NTRK1EGFRCYP1A2
SCHEMBL878903 0.84 JAK3 (0.47) PLK1NTRK1EGFRPIK3C3KIT
SCHEMBL1363679 0.84 LRRK2 (0.51) LRRK2PLK1FYNNTRK1EGFR
SCHEMBL878876 0.82 JAK3 (0.47) LRRK2PLK1NTRK1EGFRPIK3C3
SCHEMBL1362049 0.82 EGFR (0.51) LRRK2PLK1NTRK1EGFRALDH1A1
SCHEMBL878866 0.81 USP2 (0.50) LRRK2PLK1NTRK1EGFRALDH1A1
SCHEMBL1364146 0.81 JAK3 (0.46) PLK1NTRK1EGFRPIK3C3KIT
SCHEMBL878722 0.81 JAK3 (0.46) PLK1NTRK1EGFRALDH1A1PIK3C3
SCHEMBL857005 0.81 LRRK2 (0.47) LRRK2FYNHSD17B1HSD17B2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US 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-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885PLK1 71/4885FYN 390/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 LRRK2 491/4885PLK1 71/4885FYN 390/4885

“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.