SCHEMBL2896989

SCHEMBL2896989

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

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.80
▸ CYP2C9 P11712 8/20 0.80
▸ ADRB1 P08588 1/20 0.80
▸ HTR1A P08908 1/20 0.80
▸ HRH3 Q9Y5N1 1/20 0.80
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2C8 P10632 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL14899948 0.94 ELANE (0.77) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL10013429 0.92 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL7905406 0.92 ELANE (0.82) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245778 0.91 ELANE (0.74) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL9914389 0.91 ELANE (0.68) ELANECYP2C9ADRB1HTR1AHRH3
Bay-677 SCHEMBL4179543 0.89 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245423 0.89 ELANE (0.87) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245297 0.89 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
Bay-678 SCHEMBL1245235 0.89 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245171 0.88 ELANE (0.85) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957082-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy CHIESI FARMACEUTICI S.P.A (IT) 2015-02-17 — — US disclosed
US-8957082-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy CHIESI FARMACEUTICI S.P.A (IT) 2015-02-17 — — US disclosed
EP-1546113-B1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER IP GMBH (DE) 2013-05-01 — — EP disclosed
US-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 — — US disclosed
US-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy CHIESI FARMACEUTICI S.P.A. (IT) 2012-08-09 — — US disclosed
US-8198288-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2012-06-12 — — US disclosed
US-8198288-B2 Tetrahydropyrrolopyrimidinediones and their use in therapy PULMAGEN THERAPEUTICS (INFLAMMATION) LIMITED (GB) 2012-06-12 — — US disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-7687510-B2 Pyrimidinone derivatives as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER HEALTHCARE AG (DE) 2010-03-30 — — US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 — — US disclosed
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use ARGENTA DISCOVERY LIMITED (GB) 2009-04-30 — — US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 — — US disclosed
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY CHIESI FARMACEUTICI S.P.A. (IT) 2009-04-09 — — US disclosed
WO-2006082412-A2 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-08-10 — — WO disclosed
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 — — 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 (5 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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 ELANE 59/4885CYP2C9 4171/4885ADRB1 158/4885
US-20120202826-A1 Tetrahydropyrrolopyrimidinediones And Their Use In Therapy SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 1646/4885ADRB1 2271/4885
US-20090093477-A1 TETRAHYDROPYRROLOPYRIMIDINEDIONES AND THEIR USE IN THERAPY NOX1, NOX3, ELANE ELANE 3/4885CYP2C9 2216/4885ADRB1 264/4885
US-20090111795-A1 Multimers of Heterocyclic Compounds and Their Use MRM1, ME2, SDHA ELANE 293/4885CYP2C9 461/4885ADRB1 1273/4885
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885CYP2C9 536/4885ADRB1 1823/4885

“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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