SCHEMBL17846208

SCHEMBL17846208

CCn1ncc2cc(Cl)nc(NCCCCC(NC(=O)O)c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.42
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SRC P12931 3/20 0.36
ABL1 P00519 2/20 0.36
TACR3 P29371 2/20 0.35
SIRT5 Q9NXA8 2/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL17846117 0.93 MAPK1 (0.41) MAPK1TLR8TLR7SRCABL1
SCHEMBL17846098 0.90 MAPT (0.42) MAPK1
SCHEMBL19348994 0.84 TLR8 (0.41) MAPK1TLR8TLR7SRCABL1
SCHEMBL17845997 0.84 MAPK1 (0.53) MAPK1TACR3
SCHEMBL17846165 0.77 MAPK1 (0.51) MAPK1TACR3
SCHEMBL17846227 0.75 MAPK1 (0.44) MAPK1
SCHEMBL17846110 0.75 MAPK1 (0.45) MAPK1
SCHEMBL17846131 0.75 MAPK1 (0.49) MAPK1
SCHEMBL17846219 0.75 MAPK1 (0.45) MAPK1TACR3
SCHEMBL17846185 0.73 MAPK1 (0.42) MAPK1GPR139

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233859-B1 BRIDGED PYRAZOLOPYRIDINE DERIVATIVES AS ERK INHIBITORS USEFUL FOR THE TREATEMENT OF CANCER MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
US-9988397-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-05 US disclosed
EP-3233859-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100051-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO 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 (1 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-20170267695-A1 ERK INHIBITORS MAPK1, MAP3K1, MAPK4 MAPK1 1/4885TLR8 3917/4885TLR7 2616/4885

“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.