SCHEMBL17846204

SCHEMBL17846204

CN(CCCC(NC(=O)OC(C)(C)C)c1ccccc1)c1nc(Cl)cc2cnn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
UTS2R Q9UKP6 6/20 0.38
MAPT P10636 1/20 0.38
JAK3 P52333 1/20 0.36
BTK Q06187 1/20 0.36
CTSK P43235 3/20 0.35
CTSS P25774 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
S1PR3 Q99500 1/20 0.34
RET P07949 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
SCHEMBL19348975 0.89 UTS2R (0.41) MAPK1UTS2R
SCHEMBL17846100 0.85 MAPK1 (0.42) MAPK1UTS2RMAPTCTSKCTSS
SCHEMBL17846129 0.84 MAPK1 (0.43) MAPK1MAPTCTSKCTSSS1PR3
SCHEMBL17846138 0.82 MAPK1 (0.42) MAPK1MAPTCTSKCTSSS1PR3
SCHEMBL17846206 0.82 MAPK1 (0.42) MAPK1MAPTJAK3BTKCTSK
SCHEMBL17846220 0.81 MAPT (0.40) MAPK1MAPTCTSKCTSSS1PR3
SCHEMBL19350261 0.80 MAPK1 (0.42) MAPK1MAPTCTSKCTSSRET
SCHEMBL17846195 0.80 MAPK1 (0.51) MAPK1
SCHEMBL17846164 0.78 MDM2 (0.37) MAPK1MAPTS1PR3RET
SCHEMBL19349001 0.76 MAPK1 (0.43) MAPK1MAPTCTSKCTSSS1PR3

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 1/4885UTS2R 2576/4885MAPT 4135/4885

“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.