SCHEMBL5880375

SCHEMBL5880375

c1cc(-c2nc3c4c(ncc3[nH]2)CCOC4)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34

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
Hydrochloric Acid SCHEMBL5880349 0.99 WNT3A (0.34) WNT3ATNKS2
Phosphoric Acid SCHEMBL6630320 0.94 WNT3A (0.34) WNT3ATNKS2
Phosphoric Acid SCHEMBL29660482 0.93 WNT3A (0.34) WNT3ATNKS2
Phosphoric Acid SCHEMBL5880378 0.93 WNT3A (0.34) WNT3ATNKS2
SCHEMBL7299546 0.81 WNT3A (0.34) WNT3ATNKS2
SCHEMBL7297879 0.67 SPR (0.34)
SCHEMBL7299920 0.64 TNKS (0.34) WNT3ATNKS2
SCHEMBL7296866 0.62
Hydrochloric Acid SCHEMBL7304498 0.61
SCHEMBL7304154 0.61 BACE1 (0.35)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723732-B1 2-(3-ISOXAZOLYL)-3,6,7,9-TETRAHYDROIMIDAZO(4,5-D)PYRANO(4,3-B) PYRIDINE, PHARMACEUTICALLY ACCEPTABLE SALT OR HYDRATE THEREOF AND AQUEOUS BASE INCLUDING 1-MENTHOL, ETHANOL, AND PHOSPHATE BUFFER WITH PH OF 3 TO 5 SHIONOGI & CO., LTD. (JP) 2004-04-20 US claimed
EP-1132094-A1 PERCUTANEOUSLY ADMINISTRABLE PREPARATIONS CONTAINING CEREBRAL FUNCTION ACTIVATORS SHIONOGI & CO., LTD. (JP) 2001-09-12 EP claimed
US-7049437-B2 Synthetic process and crystal form of condensed imidazopyridine derivatives SHIONOGI & CO., LTD. (JP) 2006-05-23 US disclosed
US-6987187-B2 reacting a pyridinyl ketone with a halogenating agent in acetonitrile and dimethylformamide; hydrolysis, animation to get a 3-amino 4-halo pyridine; chemical intermediate; by-product inhibition SHIONOGI & CO., LTD. (JP) 2006-01-17 US disclosed
US-20040167157-A1 Process for preparation of amidine derivatives SHIONOGI & CO., LTD. (JP) 2004-08-26 US disclosed
US-6723732-B1 2-(3-ISOXAZOLYL)-3,6,7,9-TETRAHYDROIMIDAZO(4,5-D)PYRANO(4,3-B) PYRIDINE, PHARMACEUTICALLY ACCEPTABLE SALT OR HYDRATE THEREOF AND AQUEOUS BASE INCLUDING 1-MENTHOL, ETHANOL, AND PHOSPHATE BUFFER WITH PH OF 3 TO 5 SHIONOGI & CO., LTD. (JP) 2004-04-20 US disclosed
US-6723732-B1 2-(3-ISOXAZOLYL)-3,6,7,9-TETRAHYDROIMIDAZO(4,5-D)PYRANO(4,3-B) PYRIDINE, PHARMACEUTICALLY ACCEPTABLE SALT OR HYDRATE THEREOF AND AQUEOUS BASE INCLUDING 1-MENTHOL, ETHANOL, AND PHOSPHATE BUFFER WITH PH OF 3 TO 5 SHIONOGI & CO., LTD. (JP) 2004-04-20 US disclosed
EP-1408041-A1 PROCESS FOR PREPARATION OF AMIDINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2004-04-14 EP disclosed
US-20030088102-A1 Novel process for producing fused imidazopyridine derivatives and novel crystal form SHIONOGI & CO., LTD. (JP) 2003-05-08 US disclosed
EP-1132094-A4 PERCUTANEOUSLY ADMINISTRABLE PREPARATIONS CONTAINING CEREBRAL FUNCTION ACTIVATORS SHIONOGI & CO (JP) 2003-01-15 EP disclosed
EP-1270578-A1 NOVEL PROCESS FOR PRODUCING FUSED IMIDAZOPYRIDINE DERIVATIVE AND NOVEL CRYSTAL FORM SHIONOGI & CO., LTD. (JP) 2003-01-02 EP disclosed
EP-1132094-A1 PERCUTANEOUSLY ADMINISTRABLE PREPARATIONS CONTAINING CEREBRAL FUNCTION ACTIVATORS SHIONOGI & CO., LTD. (JP) 2001-09-12 EP disclosed
EP-1132094-A1 PERCUTANEOUSLY ADMINISTRABLE PREPARATIONS CONTAINING CEREBRAL FUNCTION ACTIVATORS SHIONOGI & CO., LTD. (JP) 2001-09-12 EP disclosed
WO-2000029021-A1 PERCUTANEOUSLY ADMINISTRABLE PREPARATIONS CONTAINING CEREBRAL FUNCTION ACTIVATORS SHIONOGI & CO., LTD. (JP) 2000-05-25 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 (2 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-20040167157-A1 Process for preparation of amidine derivatives NAAA, ACMSD, NIT2 WNT3A 3465/4885TNKS2 360/4885
US-20030088102-A1 Novel process for producing fused imidazopyridine derivatives and novel crystal form HPD, CA4, SCN4A WNT3A 3158/4885TNKS2 2696/4885

“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.