SCHEMBL17837248

SCHEMBL17837248

CC1(C)c2sc(-c3nc(Cl)ncc3Cl)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.53
MAPK3 P27361 1/20 0.53
CDK1 P06493 1/20 0.37
KDR P35968 1/20 0.37
FGFR1 P11362 3/20 0.35
SRC P12931 3/20 0.35
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32

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
SCHEMBL17837204 0.91 MAPK1 (0.53) MAPK1MAPK3CDK1KDRFGFR1
SCHEMBL17837173 0.91 MAPK1 (0.52) MAPK1MAPK3CDK1KDRFGFR1
SCHEMBL17837218 0.89 MAPK3 (0.51) MAPK1MAPK3CDK1KDRFGFR1
SCHEMBL17837231 0.83 MAPK1 (0.75) MAPK1MAPK3CDK1KDRCYP2D6
SCHEMBL17837271 0.83 MAPK3 (0.70) MAPK1MAPK3FGFR1SRCSIGMAR1
SCHEMBL21075975 0.81 MAPK1 (0.47) MAPK1MAPK3CDK1KDRFGFR1
SCHEMBL22470908 0.77 MAPK1 (0.35) MAPK1MAPK3CYP3A4NPC1
SCHEMBL29751806 0.77 MAPK1 (0.35) MAPK1MAPK3CYP3A4NPC1
SCHEMBL17837163 0.74 MAPK1 (0.52) MAPK1MAPK3SIGMAR1ALDH1A1CNR1
SCHEMBL22468309 0.74 MAPK3 (0.49) MAPK1MAPK3ALDH1A1

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 16 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
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-20160375030-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885CDK1 134/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885CDK1 134/4885

“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.