SCHEMBL4914828

SCHEMBL4914828

CCc1cccc(C)c1CNc1cc(OCCOC)nc(NC)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.41
CYP2C9 P11712 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
BACE1 P56817 1/20 0.35
CD38 P28907 4/20 0.33
KCNH2 Q12809 1/20 0.33
PIK3CD O00329 3/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL4912610 0.89 CYP3A4 (0.45) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4908686 0.85 CYP3A4 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4914821 0.84 CYP3A4 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4911084 0.80 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6028099 0.75 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4908157 0.73 CYP3A4 (0.42) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6027645 0.72 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Fumaric Acid SCHEMBL4913708 0.72 CYP3A4 (0.41) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6027772 0.70 TSHR (0.34) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4908684 0.70 CYP3A4 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion ALTANA PHARMA AG (DE) 2008-05-22 US disclosed
EP-1824850-A2 SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS INHIBITORS OF GASTRIC ACID SECRETION Nycomed GmbH (DE) 2007-08-29 EP disclosed
WO-2006061380-A2 SUBSTITUTED IMIDAZO[4,5-b]PYRIDINES AS INHIBITORS OF GASTRIC ACID SECRETION ALTANA PHARMA AG (DE) 2006-06-15 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-20080119510-A1 Substituted Imidazo [4,5-B] Pyridines As Inhibitors Of Gastric Acid Secretion GIPR, CCKBR, GRPR CYP3A4 93/4885CYP2C9 221/4885CYP1A2 247/4885

“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.