SCHEMBL3903047

SCHEMBL3903047

Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)NCCONC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2F)nc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.68

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
SCHEMBL3887952 0.90 F2 (0.68) F2
SCHEMBL3887943 0.88 F2 (0.78) F2
Hydrochloric Acid SCHEMBL3901218 0.88 F2 (0.77) F2
SCHEMBL13792151 0.84 F2 (0.67) F2
SCHEMBL8305968 0.84 F2 (0.67) F2
SCHEMBL3889095 0.83 F2 (0.69) F2
SCHEMBL3894857 0.83 F2 (0.67) F2
SCHEMBL3886861 0.80 F2 (0.78) F2
Hydrochloric Acid SCHEMBL3887821 0.79 F2 (0.77) F2
SCHEMBL3894408 0.78 F2 (0.79) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253017-B2 Derivatives of 2-aminopyridine as adenosine A2B receptor antagonists and ligands of the melatonin MT3 receptors PALOBIOFARMA, S.L. (ES) 2019-04-09 US disclosed
US-20180037569-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2018-02-08 US disclosed
EP-3262034-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS Palobiofarma, S.L. (ES) 2018-01-03 EP disclosed
WO-2016135048-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS PALOBIOFARMA, S.L. (ES) 2016-09-01 WO disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-7550474-B2 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICALS RESEARCH & DEVELOPMENT, L.L.C. (US) 2009-06-23 US disclosed
EP-1613319-B1 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2009-06-03 EP disclosed
EP-1537123-B1 AMINO-SUBSTITUTED CYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS GLAXO GROUP LTD (GB) 2009-04-29 EP disclosed
EP-1613319-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, L.L.C. 2004-12-16 US disclosed
WO-2004091613-A2 SUBSTITUTED PHENYL ACETAMIDES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
US-6288825-B1 Electrochromic media for producing a preselected color and devices comprising same GENTEX CORPORATION 2001-09-11 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 (3 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-10253017-B2 Derivatives of 2-aminopyridine as adenosine A2B receptor antagonists and ligands of the melatonin MT3 receptors ADORA2B, MTNR1A, ADORA3 F2 3614/4885
US-20040254166-A1 Substituted phenyl acetamides and their use as protease inhibitors TFPI, F12, SPINT2 F2 13/4885
US-20180037569-A1 DERIVATIVES OF 2-AMINOPYRIDINE AS ADENOSINE A2B RECEPTOR ANTAGONISTS AND LIGANDS OF THE MELATONIN MT3 RECEPTORS ADORA2B, MTNR1A, ADORA3 F2 3614/4885

“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.