SCHEMBL4888752

SCHEMBL4888752

Cc1cn2cc(-n3ccccc3=O)cc(OC(=O)C(F)(F)F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.42
CYP2C9 P11712 10/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
F10 P00742 2/20 0.33
ELANE P08246 1/20 0.33
SCD O00767 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL4888748 0.81 CYP3A4 (0.40) CYP3A4CYP2C9CYP1A2CYP2D6F10
SCHEMBL4878638 0.80 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6F10
SCHEMBL14021269 0.77 CYP3A4 (0.44) CYP3A4CYP2C9CYP1A2CYP2D6SCD
SCHEMBL4885893 0.75 CYP3A4 (0.52) CYP3A4CYP2C9CYP1A2CYP2D6MEN1
SCHEMBL4885288 0.74 CYP3A4 (0.73) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4882382 0.72 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2D6F10
SCHEMBL4888573 0.67 CYP3A4 (0.74) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL31211289 0.66 CYP3A4 (0.39) CYP3A4CYP2C9CYP1A2CYP2D6SCD
Trifluoroacetic Acid SCHEMBL4878633 0.63 CYP3A4 (0.43) CYP3A4CYP2C9CYP1A2CYP2D6SCD
SCHEMBL6838181 0.63 ELANE (0.44) ELANEMEN1MAPTKMT2A

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-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 1357/4885CYP1A2 149/4885

“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.