SCHEMBL5445773

SCHEMBL5445773

CC(=O)c1ccc(-c2cnc3ccc(N(C)c4cccs4)nn23)s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FYN P06241 15/20 0.42
IKBKB O14920 1/20 0.42
LRRK2 Q5S007 1/20 0.39
GRK5 P34947 1/20 0.38
CAMK2D Q13557 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL20485693 0.80 FYN (0.65) FYN
SCHEMBL19467118 0.76 IKBKB (0.44) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL1055823 0.75 FYN (0.67) FYN
SCHEMBL15254310 0.74 DYRK1A (0.46) KDM4EALDH1A1LMNAGLAGAA
SCHEMBL16554474 0.74 DYRK1A (0.48) FYNIKBKBCYP3A4CYP2A6CYP2C9
SCHEMBL4695095 0.74 FYN (0.67) KDM4EFYNIKBKB
SCHEMBL2950260 0.72 FYN (0.59) FYN
SCHEMBL20485820 0.71 FYN (0.62) FYN
SCHEMBL2947648 0.70 FYN (0.61) FYNLRRK2GRK5
SCHEMBL16554668 0.69 FYN (0.43) FYNIKBKBGRK5CAMK2DCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049591-A1 Inhibitors of MAPK/Erk Kinase KALYPSYS, INC. 2007-03-01 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 (1 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-20070049591-A1 Inhibitors of MAPK/Erk Kinase MAPK1, MAP3K1, MAP3K6 KDM4E 3209/4885ALDH1A1 2598/4885LMNA 2209/4885

“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.