SCHEMBL19348994

SCHEMBL19348994

CCn1ncc2cc(Cl)nc(NCCCCC(N)c3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.41
TLR7 Q9NYK1 2/20 0.41
BCDIN3D Q7Z5W3 2/20 0.40
SRC P12931 11/20 0.39
ABL1 P00519 7/20 0.39
MAPK1 P28482 4/20 0.38
ADORA1 P30542 2/20 0.36

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 0.84 MAPK1 (0.41) TLR8TLR7SRCABL1MAPK1
SCHEMBL17846042 0.81 MAPK1 (0.47) BCDIN3DMAPK1
SCHEMBL17846098 0.80 MAPT (0.42) MAPK1
SCHEMBL17846016 0.72 MAPK1 (0.39) BCDIN3DMAPK1
SCHEMBL17846176 0.71 MAPK1 (0.38) BCDIN3DMAPK1
SCHEMBL17846151 0.69 MAPK1 (0.41) BCDIN3DMAPK1
SCHEMBL20204244 0.69 MAPK1 (0.41) BCDIN3DMAPK1
SCHEMBL17846115 0.68 MAPK1 (0.36) BCDIN3DMAPK1
SCHEMBL17846165 0.67 MAPK1 (0.51) MAPK1
SCHEMBL17846019 0.67 MAPK1 (0.45) MAPK1

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 3 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
US-20170267695-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 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 (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 TLR8 3917/4885TLR7 2616/4885BCDIN3D 2319/4885

“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.