SCHEMBL5008604

SCHEMBL5008604

CCc1cc(F)cc(C)c1CNc1cccn2c(CC)c(C(N)=O)nc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.50
CYP2C9 P11712 7/20 0.50
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
CD38 P28907 9/20 0.36
KCNH2 Q12809 1/20 0.35
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLA2G1B P04054 1/20 0.33
JAK3 P52333 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
SCHEMBL7600893 0.77 CYP3A4 (0.72) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7498616 0.75 CYP3A4 (0.51) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL1816568 0.74 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7494482 0.72 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4988071 0.72 CYP3A4 (0.70) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6358458 0.72 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7496961 0.71 SMN1; SMN2 (0.61) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL5925957 0.71 CYP3A4 (0.48) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL6215004 0.70 CYP3A4 (0.56) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL7493636 0.70 CYP3A4 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280944-A1 Imidazo[1,2-A]Pyridine Derivatives For The Treatment Of Silent Gastro-Esophageal Reflux ASTRAZENECA AB (SE) 2008-11-13 US 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-20080280944-A1 Imidazo[1,2-A]Pyridine Derivatives For The Treatment Of Silent Gastro-Esophageal Reflux GIPR, GRPR, HRH2 CYP3A4 255/4885CYP2C9 1059/4885CYP2D6 875/4885

“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.