SCHEMBL17837244

SCHEMBL17837244

O=C1c2cc(Br)sc2C2(CC2)N1CCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.34
GRM5 P41594 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL17837163 0.85 MAPK1 (0.52) MAPK3MAPK1L3MBTL1KMT2AMEN1
Bromide SCHEMBL22468399 0.84 MAPK1 (0.51) MAPK3MAPK1L3MBTL1KMT2AMEN1
SCHEMBL25349215 0.72
SCHEMBL22672839 0.69 MAPK1 (0.49) MAPK3MAPK1KMT2AMEN1SMN1; SMN2
SCHEMBL22468309 0.68 MAPK3 (0.49) MAPK3MAPK1L3MBTL1KMT2AMEN1
SCHEMBL25349493 0.67 BACE1 (0.32)
SCHEMBL22672838 0.66 MAPK1 (0.48) MAPK3MAPK1KMT2AMEN1GRM5
SCHEMBL22468227 0.65 MAPK3 (0.47) MAPK3MAPK1L3MBTL1KMT2AMEN1
SCHEMBL22673989 0.64 ROCK2 (0.35) ALDH1A1
SCHEMBL22658811 0.63 MAPK3 (0.43) MAPK3MAPK1L3MBTL1KMT2AMEN1

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 15 patents. 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
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
US-20160375030-A1 ERK INHIBITORS ELI LILLY AND COMPANY 2016-12-29 US 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-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
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-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885L3MBTL1 2333/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885L3MBTL1 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.