SCHEMBL16224849

SCHEMBL16224849

C[C@H](c1ccccc1)n1c(=O)[nH]c2cc3[nH]nc(N)c3cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.69
USP1 O94782 1/20 0.40
JAK2 O60674 2/20 0.37
BRD4 O60885 3/20 0.36
BRD2 P25440 3/20 0.36
BRD3 Q15059 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL17555411 1.00 MAPK1 (0.69) MAPK1USP1JAK2BRD4BRD2
Trifluoroacetic Acid SCHEMBL16213533 0.92 MAPK1 (0.66) MAPK1USP1
Trifluoroacetic Acid SCHEMBL16213530 0.92 MAPK1 (0.66) MAPK1USP1
SCHEMBL22382060 0.82 MAPK1 (1.00) MAPK1
SCHEMBL20560434 0.81 MAPK1 (1.00) MAPK1CYP3A4
SCHEMBL16224846 0.81 MAPK1 (1.00) MAPK1CYP3A4
SCHEMBL16224927 0.79 MAPK1 (0.73) MAPK1USP1
SCHEMBL16213472 0.77 MAPK1 (0.48) MAPK1USP1JAK2BRD4BRD2
SCHEMBL16213473 0.77 MAPK1 (0.48) MAPK1USP1JAK2BRD4BRD2
SCHEMBL16224842 0.77 MAPK1 (1.00) MAPK1BRD4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 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 (5 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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885USP1 2869/4885JAK2 273/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885USP1 2260/4885JAK2 324/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 MAPK1 1/4885USP1 2260/4885JAK2 324/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 MAPK1 1/4885USP1 2869/4885JAK2 273/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 MAPK1 1/4885USP1 3174/4885JAK2 194/4885

“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.