SCHEMBL17846206

SCHEMBL17846206

Cn1ncc2cc(Cl)nc(CNCCCC(NC(=O)OC(C)(C)C)c3ccccc3)c21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 9/20 0.42
MAPT P10636 1/20 0.39
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
ATM Q13315 1/20 0.36
CTSK P43235 3/20 0.35
RET P07949 1/20 0.35
P2RY2 P41231 1/20 0.35
CTSS P25774 1/20 0.34
S1PR3 Q99500 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
SCHEMBL17846227 0.90 MAPK1 (0.44) MAPK1
SCHEMBL17846129 0.88 MAPK1 (0.43) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846079 0.88 MAPK1 (0.42) MAPK1
SCHEMBL19350261 0.88 MAPK1 (0.42) MAPK1MAPTCTSKRETP2RY2
SCHEMBL17846138 0.87 MAPK1 (0.42) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846100 0.85 MAPK1 (0.42) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846204 0.82 MAPK1 (0.39) MAPK1MAPTJAK3BTKCTSK
SCHEMBL17846220 0.80 MAPT (0.40) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846098 0.78 MAPT (0.42) MAPK1MAPTCTSKP2RY2
SCHEMBL19348987 0.77 MAPK1 (0.41) MAPK1MAPT

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 1/4885MAPT 4135/4885JAK3 831/4885

“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.