SCHEMBL183365

SCHEMBL183365

CC1(C)OB(c2cnc3c(OCc4ccccc4)cccn23)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.48
ATP4B P51164 3/20 0.48
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DGAT1 O75907 1/20 0.44
PSEN1 P49768 7/20 0.44
PSEN2 P49810 7/20 0.44
APH1B Q8WW43 7/20 0.44
NCSTN Q92542 7/20 0.44
APH1A Q96BI3 7/20 0.44
PSENEN Q9NZ42 7/20 0.44
MAPK8 P45983 3/20 0.39

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
SCHEMBL23104610 0.83 AKT1 (0.33) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23104542 0.75 JAK2 (0.38) MEN1KMT2AMAPTL3MBTL1
SCHEMBL23089229 0.75 JAK2 (0.41)
SCHEMBL588694 0.74 ATP4A (0.50) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL11067355 0.74 ATP4A (0.60) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL9748655 0.73 ATP4A (0.52) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL182618 0.73 ATP4A (0.54) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL31444130 0.73 ATP4A (0.54) ATP4AATP4BMAPK1CYP1A2CYP3A4
SCHEMBL9946168 0.73 MAPT (0.49) MAPK1DGAT1MAPTTDP1L3MBTL1
Iodide SCHEMBL9747433 0.72 ATP4A (0.51) ATP4AATP4BMAPK1CYP1A2CYP3A4

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
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 ATP4A 3999/4885ATP4B 3658/4885MAPK1 2/4885

“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.