SCHEMBL17837173

SCHEMBL17837173

CC1(C)c2sc(-c3nc(Cl)ncc3F)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPK3 P27361 1/20 0.52
CXCR4 P61073 1/20 0.36
FGFR1 P11362 3/20 0.33
SRC P12931 3/20 0.33
FYN P06241 1/20 0.33
AVPR1B P47901 2/20 0.32
EGFR P00533 2/20 0.31
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BTK Q06187 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
MAPK10 P53779 1/20 0.31
POLB P06746 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
SCHEMBL17837248 0.91 MAPK1 (0.53) MAPK1MAPK3FGFR1SRCCDK1
SCHEMBL17837204 0.90 MAPK1 (0.53) MAPK1MAPK3FGFR1SRCCDK1
SCHEMBL17837218 0.89 MAPK3 (0.51) MAPK1MAPK3FGFR1SRCCDK1
SCHEMBL17837176 0.82 MAPK1 (0.75) MAPK1MAPK3CDK2
SCHEMBL17837271 0.81 MAPK3 (0.70) MAPK1MAPK3FGFR1SRC
SCHEMBL21075994 0.79 MAPK3 (0.47) MAPK1MAPK3EGFRCDK1KDR
SCHEMBL17856234 0.79 MAPK3 (0.50) MAPK1MAPK3CDK1BTKCCNT1
SCHEMBL17837226 0.78 MAPK3 (0.49) MAPK1MAPK3CDK1KDRCCNT1
Hydrochloric Acid SCHEMBL17837235 0.78 MAPK3 (0.49) MAPK1MAPK3CDK1BTKCCNT1
SCHEMBL17837222 0.76 MAPK3 (0.47) MAPK1MAPK3CCNT1CCNA2CDK2

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 3/4885CXCR4 3218/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885CXCR4 3218/4885

“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.