SCHEMBL17837271

SCHEMBL17837271

CC1(C)c2sc(-c3ccnc(Cl)n3)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.70
MAPK1 P28482 1/20 0.70
KMO O15229 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
EIF2AK2 P19525 1/20 0.34
PIK3CA P42336 2/20 0.34
FGFR1 P11362 2/20 0.33
SRC P12931 2/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL17837205 0.90 MAPK3 (0.57) MAPK3MAPK1KMOALDH1A1CYP1A2
SCHEMBL17837239 0.90 MAPK3 (0.58) MAPK3MAPK1
SCHEMBL21965940 0.87 MAPK1 (0.78) MAPK3MAPK1EIF2AK2PIK3CAABL1
SCHEMBL17856223 0.84 MAPK3 (0.49) MAPK3MAPK1BACE1BACE2
SCHEMBL17837248 0.83 MAPK1 (0.53) MAPK3MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL21075869 0.82 MAPK3 (0.71) MAPK3MAPK1EIF2AK2PIK3CAABL1
Temuterkib SCHEMBL17837273 0.82 MAPK1 (1.00) MAPK3MAPK1ABL1BCRMKNK1
SCHEMBL17837204 0.82 MAPK1 (0.53) MAPK3MAPK1FGFR1SRCMCHR1
SCHEMBL17837172 0.81 MAPK3 (0.72) MAPK3MAPK1ABL1BCR
SCHEMBL17837173 0.81 MAPK1 (0.52) MAPK3MAPK1FGFR1SRC

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 22 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
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
EP-3237423-A1 THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS Eli Lilly and Company (US) 2017-11-01 EP disclosed
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 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
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 (3 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 MAPK3 6/4885MAPK1 3/4885KMO 4489/4885
US-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885KMO 3415/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885KMO 3415/4885

“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.