SCHEMBL1764722

SCHEMBL1764722

CN1CC2=C(C(=O)N1)C(c1ccc(C#N)cc1S(C)(=O)=O)NC(=O)N2c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 1.00
CYP2C19 P33261 1/20 0.75

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
SCHEMBL1134171 1.00 ELANE (1.00) ELANECYP2C19
SCHEMBL1134181 0.90 ELANE (0.82) ELANECYP2C19
SCHEMBL12593611 0.90 ELANE (0.81) ELANECYP2C19
SCHEMBL124948 0.89 ELANE (0.81) ELANECYP2C19
SCHEMBL124062 0.89 ELANE (0.81) ELANECYP2C19
SCHEMBL12593605 0.89 ELANE (0.80) ELANECYP2C19
SCHEMBL124274 0.88 ELANE (0.79) ELANECYP2C19
SCHEMBL1134158 0.88 ELANE (1.00) ELANECYP2C19
SCHEMBL1134177 0.88 ELANE (1.00) ELANECYP2C19
SCHEMBL15381028 0.88 ELANE (0.79) ELANECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US claimed
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
EP-2285809-B1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER IP GMBH (DE) 2013-03-27 EP disclosed
EP-2285809-B1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER IP GMBH (DE) 2013-03-27 EP disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 US disclosed
WO-2009135599-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-12 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-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE QDPR, DPYD, DPP4 ELANE 1816/4885CYP2C19 847/4885

“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.