Sugi Predict

Sugi Predict / Compounds / SCHEMBL183339

SCHEMBL183339

SCHEMBL183339

O=C(C1CCC(Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1)N1CCC(O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 17/20 1.00
▸ MAPK8 P45983 14/20 1.00
▸ MAPK10 P53779 7/20 0.51
▸ JUN P05412 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CIT O14578 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ STK16 O75716 1/20 0.46
▸ PDGFRB P09619 1/20 0.46
▸ EIF2AK2 P19525 1/20 0.46
▸ CDK11B P21127 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPK4 P31152 1/20 0.46
▸ TTK P33981 1/20 0.46
▸ MAP2K4 P45985 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ MAP2K6 P52564 1/20 0.46

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
SCHEMBL7884995 1.00 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL7884779 0.91 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL183227 0.91 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL182355 0.85 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL7884776 0.85 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL7888888 0.85 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL183919 0.85 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL16182130 0.83 MAPK9 (0.80) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL183362 0.82 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2
SCHEMBL7888007 0.82 MAPK9 (1.00) MAPK9MAPK8MAPK10JUNCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401274-B1 IMIDAZO[1,2-A]PYRIDINES AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2014-10-22 — — EP claimed
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 — — US claimed
CN-102325771-A Imidazo [1,2-A ] pyridines as JNK modulators HOFFMANN LA ROCHE 2012-01-18 — — CN claimed
EP-2401274-A1 IMIDAZO [1, 2 -A]PYRIDINES AS JNK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-01-04 — — EP claimed
US-20110306618-A1 JNK Modulators BUETTELMANN BERND (DE) 2011-12-15 — — US claimed
WO-2010097335-A1 IMIDAZO [1, 2 -A] PYRIDINES AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 — — WO claimed
EP-2401274-B1 IMIDAZO[1,2-A]PYRIDINES AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2014-10-22 — — EP disclosed
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 — — US disclosed
EP-2401274-A1 IMIDAZO [1, 2 -A]PYRIDINES AS JNK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-01-04 — — EP disclosed
US-20110306618-A1 JNK Modulators BUETTELMANN BERND (DE) 2011-12-15 — — US disclosed
WO-2010097335-A1 IMIDAZO [1, 2 -A] PYRIDINES AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 — — 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-20110306618-A1 JNK Modulators MAPK3, MAPK1, MAPK4 MAPK9 15/4885MAPK8 11/4885MAPK10 9/4885

“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.