SCHEMBL17837270

SCHEMBL17837270

CC(C)(C)OC(=O)N1C(=O)c2cc(Br)sc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.34
ELANE P08246 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
BCHE P06276 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30

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
SCHEMBL30900413 0.85 ELANE (0.33) BUB1ELANEPIK3R1PIK3CACCNB2
SCHEMBL21075868 0.84 BUB1 (0.34) BUB1ELANEBCHE
SCHEMBL29226355 0.80 CUL4A (0.30)
SCHEMBL22470779 0.79
SCHEMBL17837259 0.78 USP30 (0.40) BUB1
SCHEMBL21075867 0.77
SCHEMBL24837240 0.75
SCHEMBL17873707 0.74 CDC7 (0.35) BUB1
SCHEMBL17141679 0.74 CDK1 (0.39) BUB1CCNB2CDK1CCNB1GSK3B
SCHEMBL25234196 0.74 CDK1 (0.39) BUB1CCNB2CDK1CCNB1GSK3B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-RE48635-E1 ERK inhibitors ELI LILLY AND COMPANY (US) 2021-07-13 US disclosed
US-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2020-10-01 US disclosed
US-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER LILLY CO ELI (US) 2020-10-01 US disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3237423-B1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS LILLY CO ELI (US) 2019-06-05 EP disclosed
EP-3478292-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER Eli Lilly and Company (US) 2019-05-08 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
WO-2018005234-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER ELI LILLY AND COMPANY (US) 2018-01-04 WO disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9526733-B1 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-12-27 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
US-9469652-B2 ERK inhibitors ELI LILLY AND COMPANY (US) 2016-10-18 US disclosed
WO-2016106029-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS ELI LILLY AND COMPANY (US) 2016-06-30 WO disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 US disclosed
US-20160176896-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-06-23 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-20200306254-A1 COMBINATION OF ERK1/2 INHIBITOR COMPOUND WITH GEMCITABINE OR WITH GEMCITABINE AND NAB-PACLITAXEL FOR USE IN TREATMENT OF PANCREATIC CANCER KRAS, MAPKAPK2, MAPK1 BUB1 667/4885ELANE 2561/4885PIK3R1 492/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 BUB1 491/4885ELANE 2518/4885PIK3R1 270/4885

“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.