SCHEMBL16802579

SCHEMBL16802579

O[C@H]1CC[C@H](Nc2ncc3ccc(N4CCCC4)nc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 6/20 1.00
▸ MAPK10 P53779 4/20 0.62
▸ FLT3 P36888 6/20 0.48
▸ TYRO3 Q06418 6/20 0.48
▸ MERTK Q12866 6/20 0.48
▸ GAS6 Q14393 6/20 0.48
▸ MAPK9 P45984 3/20 0.47
▸ HSD11B1 P28845 1/20 0.45
▸ GSK3B P49841 2/20 0.44
▸ DGAT2 Q96PD7 1/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ GSK3A P49840 1/20 0.42
▸ JUN P05412 1/20 0.42
▸ AXL P30530 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA2B P29275 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ CCND1 P24385 1/20 0.41
▸ CCNE1 P24864 1/20 0.41

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 1.00 MAPK8 (1.00) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL16802581 0.88 MAPK8 (0.78) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL18148243 0.88 MAPK8 (0.78) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL16802576 0.85 MAPK8 (0.74) MAPK8MAPK10GSK3BDGAT2CDK4
SCHEMBL16802612 0.82 MAPK8 (0.69) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL18148246 0.82 MAPK8 (0.69) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL18148268 0.77 MAPK8 (1.00) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL16802603 0.77 MAPK8 (1.00) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL18148247 0.75 MAPK8 (0.65) MAPK8MAPK10FLT3TYRO3MERTK
SCHEMBL16802583 0.75 MAPK8 (0.65) MAPK8MAPK10FLT3TYRO3MERTK

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 31/4885FLT3 4138/4885

“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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