SCHEMBL16802784

SCHEMBL16802784

N[C@H]1CC[C@H](Nc2ncc3ccc(=O)[nH]c3n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.63
▸ MAPK10 P53779 5/20 0.63
▸ MAPK9 P45984 4/20 0.63
▸ CDK7 P50613 11/20 0.47
▸ CCNA2 P20248 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CCNH P51946 3/20 0.47
▸ MNAT1 P51948 3/20 0.47
▸ CCNK O75909 1/20 0.45
▸ CDK12 Q9NYV4 1/20 0.45
▸ CDK4 P11802 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ CDK9 P50750 6/20 0.42
▸ CCNB2 O95067 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ CCNB3 Q8WWL7 1/20 0.41
▸ MAPK14 Q16539 2/20 0.40

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
SCHEMBL18148274 1.00 MAPK8 (0.63) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL16802771 0.86 MAPK8 (0.66) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL17910207 0.86 MAPK8 (0.66) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL3052427 0.84 MAPK8 (0.60) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL17910154 0.82 MAPK8 (0.60) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL23340913 0.81 MAPK8 (0.54) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL16802601 0.81 MAPK8 (0.80) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL19868272 0.81 CDK2 (0.59) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL17910138 0.81 MAPK8 (0.56) MAPK8MAPK10MAPK9CDK7CCNA2
SCHEMBL23003226 0.80 MAPK8 (0.56) MAPK8MAPK10MAPK9CDK7CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 — — US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 — — US disclosed
US-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2016-10-20 — — US disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 — — 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-20160304466-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS MAPK3, MAP3K3, MAP3K2 MAPK8 55/4885MAPK10 31/4885MAPK9 25/4885

“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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