SCHEMBL16799805

SCHEMBL16799805

CC(C)c1nc2nc(N[C@H]3CC[C@H](O)CC3)ncc2c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 13/20 0.50
▸ MAPK9 P45984 8/20 0.50
▸ MAPK10 P53779 7/20 0.50
▸ RIPK2 O43353 1/20 0.40
▸ JUN P05412 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MAPK14 Q16539 2/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK6 Q00534 1/20 0.38
▸ PAK1 Q13153 1/20 0.38

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
SCHEMBL16799802 1.00 MAPK8 (0.50) MAPK8MAPK9MAPK10RIPK2JUN
SCHEMBL16802774 0.89 MAPK8 (0.50) MAPK8MAPK9MAPK10
SCHEMBL18148256 0.89 MAPK8 (0.50) MAPK8MAPK9MAPK10
SCHEMBL18148240 0.85 MAPK8 (0.63) MAPK8MAPK9MAPK10
SCHEMBL16802775 0.85 MAPK8 (0.63) MAPK8MAPK9MAPK10
SCHEMBL16802583 0.72 MAPK8 (0.65) MAPK8MAPK9MAPK10RIPK2JUN
SCHEMBL18148247 0.72 MAPK8 (0.65) MAPK8MAPK9MAPK10RIPK2JUN
SCHEMBL17910207 0.69 MAPK8 (0.66) MAPK8MAPK9MAPK10RIPK2JUN
SCHEMBL16802771 0.69 MAPK8 (0.66) MAPK8MAPK9MAPK10RIPK2JUN
SCHEMBL14391661 0.69 MAPK8 (0.57) MAPK8MAPK9MAPK10RIPK2JUN

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 6 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
EP-3076789-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS The Scripps Research Institute (US) 2016-10-12 — — EP disclosed
WO-2015084936-A1 NOVEL COMPOUNDS AS JNK KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2015-06-11 — — WO 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 55/4885MAPK9 25/4885MAPK10 31/4885

“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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