SCHEMBL4908191

SCHEMBL4908191

CCc1cccc(C)c1CNc1ccnc2c1nc(C)n2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.58
CYP2C9 P11712 10/20 0.58
CYP2C19 P33261 6/20 0.58
CYP1A2 P05177 6/20 0.58
CYP2D6 P10635 5/20 0.58
PDE4B Q07343 3/20 0.41
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
PAX8 Q06710 1/20 0.35
DHFR P00374 1/20 0.35
CD38 P28907 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL4912478 0.82 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4903475 0.82 CYP3A4 (0.50) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4914164 0.81 CYP3A4 (0.54) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4908106 0.81 CYP3A4 (0.51) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4912800 0.80 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4910992 0.79 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL4914079 0.78 CYP3A4 (0.49) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL5901831 0.76 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
SCHEMBL7613004 0.74 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6
Fumaric Acid SCHEMBL4913708 0.73 CYP3A4 (0.41) CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6

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 221/4885CYP2C19 57/4885

“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.