Sugi Predict

Sugi Predict / Compounds / SCHEMBL4882498

SCHEMBL4882498

SCHEMBL4882498

COc1ccc(COc2cc(-n3ncccc3=O)cn3c(C)c(C)nc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.52
▸ CYP2C9 P11712 8/20 0.52
▸ MCHR1 Q99705 2/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CSF1R P07333 1/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ ATP4A P20648 2/20 0.35
▸ ATP4B P51164 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL4886747 0.85 CYP3A4 (0.71) CYP3A4CYP2C9MCHR1CTSLCTSB
SCHEMBL4887548 0.83 CYP3A4 (0.72) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL14021400 0.80 CYP3A4 (0.64) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4888917 0.79 CYP3A4 (0.62) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL4881836 0.76 CYP3A4 (0.41) CYP3A4CYP2C9NPC1RAB9ACSF1R
SCHEMBL4884572 0.76 CYP3A4 (0.58) CYP3A4CYP2C9MCHR1CTSLCTSB
SCHEMBL12996950 0.75 CYP2C9 (0.42) CYP3A4CYP2C9MCHR1NPC1RAB9A
SCHEMBL12996957 0.75 PTGS2 (0.43) CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL4878917 0.75 CYP3A4 (0.77) CYP3A4CYP2C9MCHR1ATP4AATP4B
SCHEMBL4889001 0.74 CYP3A4 (0.72) CYP3A4CYP2C9MCHR1ATP4AATP4B

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 5 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
EP-1861095-A1 DERIVATIVES OF IMIDAZO(1,2-A)PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2007-12-05 — — EP disclosed
WO-2006100119-A1 DERIVATIVES OF IMIDAZO (1,2-A) PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2006-09-28 — — 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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 CYP3A4 215/4885CYP2C9 1357/4885MCHR1 3902/4885

“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.