SCHEMBL12330002

SCHEMBL12330002

CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(C(=O)NCCN(C)C)nn2C1c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.61
CYP2C9 P11712 2/20 0.54
CYP3A4 P08684 1/20 0.53

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
SCHEMBL18917208 0.92 ELANE (0.54) ELANECYP2C9CYP3A4
SCHEMBL2742382 0.89 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL12329665 0.87 ELANE (0.69) ELANECYP2C9CYP3A4
SCHEMBL12330070 0.87 ELANE (0.65) ELANECYP2C9CYP3A4
SCHEMBL14937514 0.86 ELANE (0.63) ELANECYP2C9CYP3A4
SCHEMBL2742383 0.85 ELANE (0.72) ELANECYP2C9CYP3A4
SCHEMBL230667 0.84 ELANE (0.70) ELANECYP2C9CYP3A4
SCHEMBL2742384 0.83 ELANE (0.69) ELANECYP2C9CYP3A4
SCHEMBL233309 0.83 ELANE (0.67) ELANECYP2C9CYP3A4
SCHEMBL230939 0.82 ELANE (0.66) ELANECYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545057-B1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARM SPA (IT) 2017-06-07 EP disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-9120802-B2 Pyrimidine derivatives and their use in the treatment of respiratory diseases such as COPD CHIESI FARMACEUTICI S.P.A. (IT) 2015-09-01 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
US-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD CHIESI FARMACEUTICI S.P.A. (IT) 2013-05-16 US disclosed
WO-2011110859-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2011-09-15 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-20130123278-A1 PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY DISEASES SUCH AS COPD XDH, SERPINB1, CCR9 ELANE 10/4885CYP2C9 15/4885CYP3A4 313/4885

“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.