SCHEMBL7888007

SCHEMBL7888007

CS(=O)(=O)N[C@H]1CC[C@H](Nc2nccc(-c3cnc4c(OCc5ccccc5)cccn34)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 15/20 1.00
MAPK8 P45983 12/20 1.00
FLT3 P36888 2/20 0.49
MAPK10 P53779 5/20 0.46
CDK2 P24941 2/20 0.46
JUN P05412 1/20 0.46
IRAK4 Q9NWZ3 2/20 0.45
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43

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
SCHEMBL183362 1.00 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL7884779 0.87 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL183227 0.87 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL16182130 0.87 MAPK9 (0.80) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL182355 0.84 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL7884776 0.84 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL183339 0.82 MAPK9 (1.00) MAPK9MAPK8MAPK10CDK2JUN
SCHEMBL7884995 0.82 MAPK9 (1.00) MAPK9MAPK8MAPK10CDK2JUN
SCHEMBL15344630 0.80 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2
SCHEMBL7887171 0.80 MAPK9 (1.00) MAPK9MAPK8FLT3MAPK10CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 US disclosed
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 US disclosed
US-20110306618-A1 JNK Modulators BUETTELMANN BERND (DE) 2011-12-15 US 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 11/4885FLT3 430/4885

“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.