SCHEMBL16830054

SCHEMBL16830054

C[C@@H](NC(=O)Nc1cc2c(c(CO)n1)c(CO)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 20/20 0.58
▸ SGK1 O00141 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ ULK1 O75385 1/20 0.54
▸ CDK2 P24941 1/20 0.54
▸ GRK2 P25098 1/20 0.54
▸ MAPK3 P27361 1/20 0.54
▸ GRK3 P35626 1/20 0.54
▸ TGFBR2 P37173 1/20 0.54
▸ CLK2 P49760 1/20 0.54
▸ GSK3A P49840 1/20 0.54
▸ GSK3B P49841 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ CDK5 Q00535 1/20 0.54
▸ PRKG2 Q13237 1/20 0.54
▸ ROCK1 Q13464 1/20 0.54
▸ MARK2 Q7KZI7 1/20 0.54
▸ MAPK15 Q8TD08 1/20 0.54
▸ HASPIN Q8TF76 1/20 0.54
▸ CLK4 Q9HAZ1 1/20 0.54

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
SCHEMBL16830056 1.00 MAPK1 (0.58) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL16965443 0.94 MAPK1 (0.61) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL16965441 0.94 MAPK1 (0.61) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL16964779 0.93 MAPK1 (0.62) MAPK1
SCHEMBL16964781 0.93 MAPK1 (0.62) MAPK1
SCHEMBL16830025 0.92 MAPK1 (0.61) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL16830023 0.92 MAPK1 (0.61) MAPK1SGK1ROCK2ULK1CDK2
SCHEMBL16830063 0.87 MAPK1 (0.65) MAPK1
SCHEMBL16830062 0.87 MAPK1 (0.65) MAPK1
SCHEMBL16965014 0.86 MAPK1 (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082810-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-26 — — EP disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 — — US disclosed
US-9546168-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-17 — — US disclosed
US-20160311819-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 — — US disclosed
US-20160311819-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 — — US disclosed
EP-3082810-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-10-26 — — EP disclosed
WO-2015094929-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — WO disclosed
WO-2015094929-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 — — 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-20160311819-A1 ERK INHIBITORS MAPK1, MAPK10, MAPK3 MAPK1 1/4885SGK1 143/4885ROCK2 716/4885

“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.

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