SCHEMBL16802576

SCHEMBL16802576

c1cc2cnc(NC3CCNCC3)nc2nc1N1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 0.74
▸ MAPK10 P53779 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.44
▸ HRH4 Q9H3N8 6/20 0.43
▸ CDK4 P11802 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37

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
SCHEMBL18148255 0.85 MAPK8 (1.00) MAPK8MAPK10DGAT2HRH4CDK4
SCHEMBL16802579 0.85 MAPK8 (1.00) MAPK8MAPK10DGAT2HRH4CDK4
SCHEMBL18148243 0.85 MAPK8 (0.78) MAPK8MAPK10DGAT2HRH4CDK4
SCHEMBL16802581 0.85 MAPK8 (0.78) MAPK8MAPK10DGAT2HRH4CDK4
SCHEMBL14084934 0.81 HRH4 (0.64) MAPK8HRH4CDK4GSK3BIRAK4
SCHEMBL1088680 0.80 HRH4 (0.62) MAPK8HRH4CDK4GSK3BMKNK1
Hydrochloric Acid SCHEMBL1450081 0.79 HRH4 (0.61) MAPK8HRH4CDK4GSK3BMKNK1
SCHEMBL18148246 0.77 MAPK8 (0.69) MAPK8MAPK10DGAT2HRH4HPGDS
SCHEMBL16802612 0.77 MAPK8 (0.69) MAPK8MAPK10DGAT2HRH4HPGDS
SCHEMBL16799912 0.77 MAPK8 (0.72) MAPK8MAPK10CDK4IRAK4MKNK1

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 31/4885DGAT2 1077/4885

“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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