SCHEMBL17102732

SCHEMBL17102732

CC(C)(C)N(C(=O)O)c1ccccc1Nc1nc(Cl)ncc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 3/20 0.45
MAPK3 P27361 11/20 0.45
CDC7 O00311 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PIM1 P11309 1/20 0.44
PRKACA P17612 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
HIPK2 Q9H2X6 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
ULK1 O75385 2/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
KDR P35968 2/20 0.39
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2B Q14289 1/20 0.39

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
SCHEMBL28059267 0.79 SYK (0.46) PTK2ULK1GSK3AGSK3BJAK2
SCHEMBL25692091 0.79 ULK1 (0.44) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL15937970 0.78 MAPK3 (0.53) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL25234927 0.78 PTK2 (0.49) PTK2PTK2B
SCHEMBL5563903 0.78 CDC7 (0.55) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL12813038 0.77 CDC7 (0.52) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL2029526 0.76 PTK2 (0.58) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL15948509 0.75 MAPK3 (0.53) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL19831480 0.75 CDC7 (0.50) PTK2MAPK3CDC7ROCK2MAP4K4
SCHEMBL1202633 0.75 CDC7 (0.70) CDC7ROCK2MAP4K4PIM1PRKACA

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-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 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-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 PTK2 71/4885MAPK3 2/4885CDC7 181/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PTK2 56/4885MAPK3 3/4885CDC7 331/4885

“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.