SCHEMBL4903475

SCHEMBL4903475

CCc1cccc(C)c1CNc1cc(C(=O)O)nc2c1nc(C)n2C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.50
CYP2C9 P11712 10/20 0.50
CYP1A2 P05177 5/20 0.50
CYP2D6 P10635 5/20 0.50
CYP2C19 P33261 4/20 0.50
CD38 P28907 4/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4C Q9H3R0 1/20 0.35
DHFR P00374 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL4914164 0.91 CYP3A4 (0.54) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4912800 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4910992 0.89 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4914079 0.88 CYP3A4 (0.49) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4912478 0.84 CYP3A4 (0.53) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6027656 0.82 CYP3A4 (0.54) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4908106 0.82 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4908191 0.82 CYP3A4 (0.58) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5901795 0.82 CYP3A4 (0.56) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Fumaric Acid SCHEMBL4913712 0.79 CYP3A4 (0.42) 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.