SCHEMBL17837306

SCHEMBL17837306

Cn1nccc1Nc1nccc(-c2cc3c(s2)C(C)(C)N(CCN2CCCOCC2)C3=O)n1

nearest known ligand 0.94

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.94
MAPK3 P27361 2/20 0.94
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAP3K14 Q99558 1/20 0.38
EGFR P00533 1/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
MKNK1 Q9BUB5 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
Temuterkib SCHEMBL17837273 0.97 MAPK1 (1.00) MAPK1MAPK3ABL1BCRMAP3K14
Temuterkib SCHEMBL28928408 0.92 MAPK1 (0.91) MAPK1MAPK3ABL1BCRMAP3K14
SCHEMBL17837212 0.90 MAPK1 (0.86) MAPK1MAPK3MAP3K14
SCHEMBL17837242 0.89 MAPK1 (0.85) MAPK1MAPK3ABL1BCRMKNK1
Temuterkib SCHEMBL28654935 0.88 MAPK1 (0.83) MAPK1MAPK3ABL1BCRMAP3K14
SCHEMBL17856228 0.88 MAPK1 (0.83) MAPK1MAPK3MAP3K14
SCHEMBL17837246 0.88 MAPK1 (0.83) MAPK1MAPK3
SCHEMBL17837275 0.87 MAPK1 (0.81) MAPK1MAPK3MAP3K14
SCHEMBL17837241 0.87 MAPK1 (0.81) MAPK1MAPK3ABL1BCRMAP3K14
SCHEMBL17871041 0.87 MAPK1 (0.81) MAPK1MAPK3ABL1BCRMAP3K14

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 14 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
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
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 3/4885ABL1 109/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK1 2/4885MAPK3 3/4885ABL1 109/4885

“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.