SCHEMBL17034053

SCHEMBL17034053

C[C@@H]1COCCN1C(=O)c1cc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 10/20 0.46
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ HTR1A P08908 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ EGFR P00533 2/20 0.36
▸ ERBB2 P04626 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ GRM4 Q14833 2/20 0.36
▸ BRAF P15056 1/20 0.36
▸ TNNI3K Q59H18 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ PDE10A Q9Y233 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
SCHEMBL17034024 1.00 MKNK1 (0.46) MKNK1ROCK2ROCK1HTR1AGABRA1
SCHEMBL15618209 0.86 MKNK1 (0.55) MKNK1EGFRERBB2KDRGRM4
SCHEMBL15618507 0.83 MKNK1 (0.49) MKNK1EGFRERBB2KDRGRM4
SCHEMBL17026093 0.83 MKNK1 (0.49) MKNK1EGFRERBB2KDRGRM4
SCHEMBL15618333 0.80 MKNK1 (0.66) MKNK1GRM4BRAFTNNI3KGRIN2D
SCHEMBL15618402 0.79 MKNK1 (0.46) MKNK1KDR
SCHEMBL15618440 0.79 MKNK1 (0.51) MKNK1GRM4GRIN2DGRIN3BGRIN1
SCHEMBL15618290 0.78 MKNK1 (0.55) MKNK1EGFRKDRBRAFTNNI3K
SCHEMBL15618202 0.75 MKNK1 (0.50) MKNK1BRAFTNNI3K
SCHEMBL15631564 0.74 ROCK2 (0.39) MKNK1ROCK2ROCK1GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382255-B2 Substituted pyrrolopyrimidinylamino-benzothiazolones as MKNK kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-05 — — US disclosed
US-20150239891-A1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-27 — — US 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-20150239891-A1 SUBSTITUTED PYRROLOPYRIMIDINYLAMINO-BENZOTHIAZOLONES AS MKNK KINASE INHIBITORS MKNK1, MKNK2, MAP3K20 MKNK1 1/4885ROCK2 1039/4885ROCK1 1057/4885

“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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