SCHEMBL984474

SCHEMBL984474

CCOC(=O)c1cc(-c2ccnn2-c2ccc(C#N)cc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 20/20 0.78
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 2/20 0.45

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
SCHEMBL985971 0.90 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL17378390 0.90 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL18879434 0.89 ELANE (0.82) ELANECYP2C9CYP3A4
SCHEMBL27888247 0.88 ELANE (0.80) ELANECYP2C9CYP3A4
SCHEMBL2273394 0.87 ELANE (1.00) ELANECYP2C9
SCHEMBL14922185 0.86 ELANE (0.81) ELANE
SCHEMBL14922184 0.86 ELANE (0.80) ELANE
SCHEMBL27872087 0.85 ELANE (0.82) ELANE
SCHEMBL987063 0.85 ELANE (0.82) ELANE
SCHEMBL1604508 0.85 ELANE (0.81) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 US disclosed
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-30 US disclosed
US-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
US-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
US-8436024-B2 2-pyridone compounds ASTRAZENECA AB (GB) 2013-05-07 US disclosed
WO-2011039528-A1 2-PYRIDONE COMPOUNDS USED AS INHIBITORS OF NEUTROPHIL ELASTASE ASTRAZENECA AB (SE) 2011-04-07 WO disclosed
US-20110082155-A1 Novel 2-Pyridone Compounds ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20110082155-A1 Novel 2-Pyridone Compounds ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20110082155-A1 Novel 2-Pyridone Compounds ASTRAZENECA AB (SE) 2011-04-07 US disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 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-20110082155-A1 Novel 2-Pyridone Compounds SERPINB1, ELANE, EPX ELANE 2/4885CYP2C9 868/4885CYP3A4 351/4885
US-20130137675-A1 HETEROCYCLIC COMPOUND AND USE THEREOF PDE3A, PDE2A, PDE5A ELANE 1517/4885CYP2C9 487/4885CYP3A4 783/4885
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 536/4885CYP3A4 332/4885

“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.