SCHEMBL17846165

SCHEMBL17846165

CCn1ncc2cc(Cl)nc(OCCCCC(NC(N)=O)c3ccccc3)c21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.51
PDE4D Q08499 2/20 0.35
PDE4B Q07343 1/20 0.35
TACR3 P29371 2/20 0.35
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 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
SCHEMBL17845997 0.93 MAPK1 (0.53) MAPK1PDE4DPDE4BTACR3
SCHEMBL17846131 0.89 MAPK1 (0.49) MAPK1
SCHEMBL17846117 0.84 MAPK1 (0.41) MAPK1TACR3
SCHEMBL17846042 0.83 MAPK1 (0.47) MAPK1PDE4DPDE4B
SCHEMBL17846161 0.83 MAPK1 (0.51) MAPK1PDE4D
SCHEMBL17846041 0.79 MAPK1 (0.44) MAPK1
SCHEMBL17846043 0.79 MAPK1 (0.44) MAPK1
SCHEMBL20204239 0.78 MAPK1 (0.45) MAPK1
SCHEMBL17846201 0.78 MAPK1 (0.45) MAPK1
SCHEMBL17846060 0.78 MAPK1 (0.52) MAPK1PDE4D

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 1/4885PDE4D 1455/4885PDE4B 631/4885

“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.