SCHEMBL17873733

SCHEMBL17873733

CC(C)(C)OC(=O)Nc1ccnn1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.39
ATR Q13535 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PCSK9 Q8NBP7 1/20 0.38
PSMB8 P28062 1/20 0.38
NAMPT P43490 1/20 0.38
RORC P51449 3/20 0.37
APLNR P35414 1/20 0.37
SCD O00767 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK14 Q16539 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
METAP1 P53582 1/20 0.35

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
SCHEMBL14116755 0.83 CYP17A1 (0.42) CYP17A1ATRPCSK9PSMB8NAMPT
SCHEMBL32683223 0.80 L3MBTL1 (0.44) CYP17A1ATRL3MBTL1PCSK9PSMB8
SCHEMBL17844767 0.80 KMT2A (0.49) CYP17A1ATRPSMB8NAMPTGSK3B
SCHEMBL29168119 0.78 KMT2A (0.42) L3MBTL1PCSK9
SCHEMBL29168120 0.78 KMT2A (0.42) L3MBTL1PCSK9
SCHEMBL14116754 0.78 ATR (0.43) CYP17A1ATRPCSK9PSMB8NAMPT
SCHEMBL6292251 0.78 CYP17A1 (0.40) CYP17A1ATRPCSK9PSMB8NAMPT
SCHEMBL19373777 0.76 CYP17A1 (0.40) CYP17A1ATRPCSK9PSMB8NAMPT
SCHEMBL23371285 0.76 PCSK9 (0.41) PCSK9RORCAPLNRCA12CA1
SCHEMBL29168312 0.76 LMNA (0.40) PCSK9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074874-B ERK inhibitor 伊莱利利公司 2019-04-23 CN disclosed
EP-3237420-B1 ERK INHIBITORS LILLY CO ELI (US) 2018-09-26 EP disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
US-9879029-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2018-01-30 US disclosed
EP-3237420-A1 ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
US-20170267691-A1 ERK INHIBITORS LILLY CO ELI (US) 2017-09-21 US disclosed
CN-107074874-A Erk inhibitor 伊莱利利公司 2017-08-18 CN disclosed
WO-2016106009-A1 ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 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-20170267691-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 CYP17A1 3776/4885ATR 1138/4885L3MBTL1 2333/4885

“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.