SCHEMBL20165502

SCHEMBL20165502

COC(=O)C(C(=O)OC)c1nc(Cl)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.36
NFKB1 P19838 4/20 0.35
ATF1 P18846 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 3/20 0.34
KCNQ3 O43525 3/20 0.33
KCNQ2 O43526 3/20 0.33
KCNQ5 Q9NR82 3/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
JUN P05412 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
XPO1 O14980 1/20 0.32
PIN1 Q13526 1/20 0.32

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
SCHEMBL21381498 0.93 MAPK1 (0.43) MAPK1ALDH1A1GAANFKB1ATF1
SCHEMBL21373688 0.91 MAPK1 (0.45) MAPK1ALDH1A1GAANFKB1ATF1
SCHEMBL21373780 0.75 MAPK1 (0.43) MAPK1ALDH1A1NFKB1ATF1KMT2A
SCHEMBL1554935 0.73 SMN1; SMN2 (0.40) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL16094863 0.72 NPSR1 (0.45) ALDH1A1GAANFKB1ATF1SMN1; SMN2
SCHEMBL12413632 0.72 SMN1; SMN2 (0.42) ALDH1A1GAASMN1; SMN2L3MBTL1POLB
SCHEMBL21373757 0.72 MAPK1 (0.37) MAPK1ALDH1A1NFKB1ATF1SMN1; SMN2
SCHEMBL5772792 0.72 MEN1 (0.44) MAPK1ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL21381504 0.72 MAPK1 (0.38) MAPK1ALDH1A1NFKB1ATF1SMN1; SMN2
SCHEMBL21862847 0.71 MAPK1 (0.51) MAPK1ALDH1A1GAASMN1; SMN2POLB

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-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 US disclosed
US-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 US disclosed
EP-3541813-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-09-25 EP disclosed
WO-2018092089-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-24 WO disclosed
WO-2018092089-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-05-24 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-20190345138-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K1 MAPK1 47/4885ALDH1A1 1319/4885GAA 2951/4885

“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.