SCHEMBL4885749

SCHEMBL4885749

Cc1cccc(C)c1COc1cc(-c2cccnc2)cn2c(C)c(C)nc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.57
CYP2C9 P11712 10/20 0.57
CYP2D6 P10635 5/20 0.57
CYP2C19 P33261 5/20 0.57
CYP1A2 P05177 4/20 0.57
SGMS2 Q8NHU3 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PDE2A O00408 1/20 0.39
PDE5A O76074 1/20 0.39
PDE4A P27815 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
PDE10A Q9Y233 1/20 0.39
SGMS1 Q86VZ5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38

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
SCHEMBL4887352 0.88 CYP3A4 (0.64) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL14021313 0.82 CYP3A4 (0.66) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL4881655 0.81 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4888948 0.81 CYP3A4 (0.54) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4884177 0.79 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4891085 0.78 CYP3A4 (0.65) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL4878656 0.78 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL4887548 0.74 CYP3A4 (0.72) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL14021307 0.74 CYP3A4 (0.67) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2
SCHEMBL7499341 0.73 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP2C19CYP1A2

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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 CYP3A4 215/4885CYP2C9 1357/4885CYP2D6 289/4885

“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.