SCHEMBL4891186

SCHEMBL4891186

Cc1nc2c(NCc3ccc(F)cc3Cl)cc(-n3cncn3)cn2c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 1.00
CYP2C9 P11712 18/20 1.00
CYP2D6 P10635 4/20 0.65
CYP1A2 P05177 3/20 0.65
CYP2C19 P33261 3/20 0.65
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
P2RX7 Q99572 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
SCHEMBL14021428 0.88 CYP3A4 (0.82) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4882547 0.85 CYP3A4 (0.74) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL14021427 0.83 CYP3A4 (0.75) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL14021423 0.82 CYP3A4 (0.81) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL14021422 0.82 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4881839 0.81 CYP3A4 (0.98) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL14021425 0.81 CYP3A4 (0.83) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL14021365 0.79 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
SCHEMBL4880985 0.79 CYP3A4 (1.00) CYP3A4CYP2C9CYP2D6CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4888780 0.78 CYP3A4 (0.98) 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-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.