SCHEMBL17837172

SCHEMBL17837172

CC1(C)c2sc(-c3ccnc(Nc4ccc(F)cc4F)n3)cc2C(=O)N1CCN1CCOCC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.72
MAPK1 P28482 1/20 0.72
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
MAPK14 Q16539 9/20 0.40
MKNK2 Q9HBH9 2/20 0.39
FLT3 P36888 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
EGFR P00533 3/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37

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
SCHEMBL17837224 0.86 MAPK3 (0.54) MAPK3MAPK1MAPK14
SCHEMBL17837281 0.86 MAPK3 (0.74) MAPK3MAPK1CCNB2CDK1CCNB1
SCHEMBL21965940 0.85 MAPK1 (0.78) MAPK3MAPK1CCNB2CDK1CCNB1
Temuterkib SCHEMBL17837273 0.84 MAPK1 (1.00) MAPK3MAPK1ABL1BCR
SCHEMBL17856230 0.84 MAPK3 (0.71) MAPK3MAPK1CCNB2CDK1CCNB1
SCHEMBL17837311 0.84 MAPK3 (0.71) MAPK3MAPK1CCNB2CDK1CCNB1
SCHEMBL17837198 0.83 MAPK3 (0.77) MAPK3MAPK1ABL1BCREGFR
SCHEMBL17837277 0.82 MAPK3 (0.69) MAPK3MAPK1CCNB2CDK1CCNB1
SCHEMBL17856231 0.82 MAPK3 (0.72) MAPK3MAPK1CCNB2CDK1CCNB1
SCHEMBL17837278 0.82 MAPK3 (0.69) MAPK3MAPK1CCNB2CDK1CCNB1

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 MAPK3 3/4885MAPK1 2/4885CCNB2 977/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885CCNB2 977/4885

“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.