SCHEMBL17846220

SCHEMBL17846220

Cn1ncc2cc(Cl)nc(C3OC3CCCC(NC(=O)OC(C)(C)C)c3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
MAPK1 P28482 5/20 0.37
CTSK P43235 3/20 0.34
SCD O00767 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
S1PR3 Q99500 1/20 0.33
FAAH O00519 1/20 0.33
CTSS P25774 1/20 0.33
RET P07949 1/20 0.33
CXCR3 P49682 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL19348981 0.90 MAPK1 (0.39) MAPK1FAAH
SCHEMBL17846129 0.83 MAPK1 (0.43) MAPTMAPK1CTSKHDAC4HDAC1
SCHEMBL17846204 0.81 MAPK1 (0.39) MAPTMAPK1CTSKS1PR3CTSS
SCHEMBL17846138 0.80 MAPK1 (0.42) MAPTMAPK1CTSKS1PR3FAAH
SCHEMBL17846206 0.80 MAPK1 (0.42) MAPTMAPK1CTSKS1PR3CTSS
SCHEMBL17845995 0.80 ADRB1 (0.35)
SCHEMBL19350261 0.78 MAPK1 (0.42) MAPTMAPK1CTSKSCDCTSS
SCHEMBL17846100 0.78 MAPK1 (0.42) MAPTMAPK1CTSKS1PR3CTSS
SCHEMBL17846131 0.75 MAPK1 (0.49) MAPTMAPK1CTSKHDAC4HDAC1
SCHEMBL17846098 0.75 MAPT (0.42) MAPTMAPK1CTSK

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 MAPT 4135/4885MAPK1 1/4885CTSK 2212/4885

“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.