SCHEMBL1245778

SCHEMBL1245778

C=CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)NC1c1ccc(C#N)nc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.74
▸ CYP2C9 P11712 7/20 0.74
▸ ADRB1 P08588 1/20 0.74
▸ HTR1A P08908 1/20 0.74
▸ HRH3 Q9Y5N1 1/20 0.74
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ CYP3A4 P08684 3/20 0.46

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
SCHEMBL2896989 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL14899948 0.89 ELANE (0.77) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL395509 0.88 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL393399 0.88 ELANE (0.83) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7905406 0.88 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013429 0.88 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245235 0.85 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245423 0.85 ELANE (0.87) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245297 0.85 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
Bay-677 SCHEMBL4179543 0.85 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3

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
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 — — EP disclosed
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 — — EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 — — US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 — — US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 — — US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 — — US disclosed
US-7893073-B2 Heterocyclic derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-22 — — US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 — — US disclosed
US-20100184788-A1 HETEROCYCLIC DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-22 — — US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 — — US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 — — US disclosed
US-20080021053-A1 Heterocyclic Derivatives BAYER HEALTHCARE AG (DE) 2008-01-24 — — US disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 — — 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-20080021053-A1 Heterocyclic Derivatives TNNI3, CYP11B2, TNNT2 ELANE 132/4885CYP2C9 838/4885ADRB1 72/4885
US-20100184788-A1 HETEROCYCLIC DERIVATIVES TNNI3, TNNT2, CYP11B2 ELANE 132/4885CYP2C9 854/4885ADRB1 71/4885

“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.

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