SCHEMBL4530604

SCHEMBL4530604

CC(C)Cn1c(C(N)=O)nc2ccc(-c3c(-c4ccccc4)nc(-c4c(F)cccc4F)n3C)nc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
FABP4 P15090 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DYRK1A Q13627 3/20 0.36
DYRK2 Q92630 3/20 0.36
CLK1 P49759 1/20 0.36
CDK9 P50750 1/20 0.34
FAAH O00519 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PLA2G4A P47712 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3992817 0.87 MAPK14 (0.66) MAPK14ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL29593607 0.87 MAPK14 (0.66) MAPK14ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL5780689 0.87 MAPK14 (0.47) MAPK14FABP4ALDH1A1SMN1; SMN2DYRK1A
SCHEMBL4300771 0.80 MAPK14 (0.47) MAPK14FABP4ALDH1A1SMN1; SMN2DYRK1A
SCHEMBL4300769 0.80 MAPK14 (0.47) MAPK14FABP4ALDH1A1SMN1; SMN2DYRK1A
SCHEMBL29594245 0.76 MAPK14 (0.54) MAPK14ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL4069800 0.76 MAPK14 (0.54) MAPK14ALDH1A1SMN1; SMN2DYRK1ADYRK2
SCHEMBL4530608 0.76 MAPK14 (0.36) MAPK14FABP4FAAHCNR1CNR2
SCHEMBL3997550 0.71 MAPK14 (0.40) MAPK14FABP4ALDH1A1SMN1; SMN2DYRK1A
SCHEMBL3997548 0.71 MAPK14 (0.40) MAPK14FABP4ALDH1A1SMN1; SMN2DYRK1A

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-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 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-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 MAPK14 174/4885FABP4 4320/4885ALDH1A1 3145/4885

“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.