SCHEMBL20006044

SCHEMBL20006044

CC(C)(C)OC(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(Nc3ccccc3)n2)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.49
CDK2 P24941 4/20 0.49
CDK4 P11802 3/20 0.49
NR1I2 O75469 3/20 0.49
JAK2 O60674 2/20 0.49
PLK4 O00444 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
ULK1 O75385 1/20 0.49
ERN1 O75460 1/20 0.49
PRKD3 O94806 1/20 0.49
ABL1 P00519 1/20 0.49
KRAS P01116 1/20 0.49
RAF1 P04049 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CDK1 P06493 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 0.49
MET P08581 1/20 0.49

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
SCHEMBL19994675 0.91 BRAF (0.52) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL20006053 0.86 BRAF (0.52) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL30596126 0.86 BRAF (0.52) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL19994708 0.86 BRAF (0.51) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL24256996 0.84 BRAF (0.54) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL24257065 0.83 BRAF (0.58) BRAFCDK4NR1I2RIPK2IRAK1
SCHEMBL30464231 0.83 BRAF (0.58) BRAFCDK4NR1I2RIPK2IRAK1
SCHEMBL21312785 0.82 BRAF (0.48) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL19994701 0.81 CDK2 (0.51) BRAFCDK2CDK4NR1I2JAK2
SCHEMBL19994700 0.81 BRAF (0.75) BRAFCDK2CDK4NR1I2JAK2

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-20190263796-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES CELLIPSE (FR) 2019-08-29 US disclosed
WO-2018055097-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES CELLIPSE (FR) 2018-03-29 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 (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-20190263796-A1 LIM KINASE INHIBITORS, PHARMACEUTICAL COMPOSITION AND METHOD OF USE IN LIMK-MEDIATED DISEASES LIMK1, LIMK2, LMTK3 BRAF 262/4885CDK2 216/4885CDK4 572/4885

“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.