SCHEMBL4914079

SCHEMBL4914079

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.49
CYP2C9 P11712 7/20 0.49
CYP2D6 P10635 4/20 0.49
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
CD38 P28907 4/20 0.38
KCNH2 Q12809 1/20 0.38
PIK3CD O00329 1/20 0.35
GPR52 Q9Y2T5 1/20 0.34
ADORA2A P29274 1/20 0.34
GCGR P47871 1/20 0.34
TP53 P04637 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PKMYT1 Q99640 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
SCHEMBL4912800 0.90 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4903475 0.88 CYP3A4 (0.50) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4914164 0.87 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4910992 0.85 CYP3A4 (0.47) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5902154 0.84 CYP3A4 (0.52) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4912478 0.80 CYP3A4 (0.53) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4908106 0.79 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4908191 0.78 CYP3A4 (0.58) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5901515 0.77 CYP3A4 (0.59) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5926045 0.76 CYP3A4 (0.55) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19

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 221/4885CYP2D6 156/4885

“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.