SCHEMBL17846129

SCHEMBL17846129

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.43
MAPT P10636 1/20 0.40
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
FAAH O00519 1/20 0.36
CTSK P43235 3/20 0.36
HDAC3 O15379 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
RET P07949 1/20 0.36
CTSS P25774 1/20 0.35
S1PR3 Q99500 1/20 0.35
GABRB1 P18505 1/20 0.34
GABRB2 P47870 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
SCHEMBL17846219 0.89 MAPK1 (0.45) MAPK1FAAH
SCHEMBL17846138 0.88 MAPK1 (0.42) MAPK1MAPTFAAHCTSKRET
SCHEMBL17846206 0.88 MAPK1 (0.42) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846005 0.88 MAPK1 (0.44) MAPK1FAAH
SCHEMBL17846100 0.86 MAPK1 (0.42) MAPK1MAPTCTSKRETCTSS
SCHEMBL19350261 0.86 MAPK1 (0.42) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846204 0.84 MAPK1 (0.39) MAPK1MAPTCTSKRETCTSS
SCHEMBL17846220 0.83 MAPT (0.40) MAPK1MAPTHDAC4HDAC1FAAH
SCHEMBL19348976 0.78 MAPK1 (0.42) MAPK1CTSK
SCHEMBL17844851 0.78 MAPK1 (0.42) MAPK1CTSK

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 4135/4885HDAC4 661/4885

“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.