SCHEMBL17856232

SCHEMBL17856232

COc1n[nH]cc1Nc1ncc(C)c(-c2cc3c(s2)C(C)(C)N(CCN2CCOCC2)C3=O)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.51
MAPK1 P28482 1/20 0.51
TNK2 Q07912 4/20 0.34
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
LRRK2 Q5S007 4/20 0.33
DCLK1 O15075 1/20 0.33
MAPK7 Q13164 1/20 0.33
CDK1 P06493 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MAP3K14 Q99558 2/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.32
PTK2 Q05397 1/20 0.32
FLT3 P36888 1/20 0.32
MKNK2 Q9HBH9 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
Hydrochloric Acid SCHEMBL17837256 0.99 MAPK3 (0.50) MAPK3MAPK1TNK2JAK2JAK1
SCHEMBL17856234 0.92 MAPK3 (0.50) MAPK3MAPK1TNK2JAK2JAK1
Hydrochloric Acid SCHEMBL17837235 0.91 MAPK3 (0.49) MAPK3MAPK1TNK2JAK2JAK1
SCHEMBL17837234 0.88 MAPK3 (0.51) MAPK3MAPK1JAK2JAK1LRRK2
SCHEMBL17837277 0.86 MAPK3 (0.69) MAPK3MAPK1JAK2CDK1CCNB2
SCHEMBL17837232 0.85 MAPK3 (0.48) MAPK3MAPK1JAK2JAK1LRRK2
SCHEMBL17837238 0.83 MAPK3 (0.54) MAPK3MAPK1TNK2JAK2LRRK2
SCHEMBL17837208 0.83 MAPK1 (0.58) MAPK3MAPK1TNK2JAK2JAK1
SCHEMBL17837165 0.82 MAPK3 (0.45) MAPK3MAPK1JAK2JAK1LRRK2
SCHEMBL17837224 0.82 MAPK3 (0.54) MAPK3MAPK1JAK2TYK2

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 10 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
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-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

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 2/4885TNK2 124/4885
US-20160176896-A1 ERK INHIBITORS MAPK4, MAPK1, MAPK3 MAPK3 3/4885MAPK1 2/4885TNK2 124/4885

“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.