SCHEMBL2895205

SCHEMBL2895205

CCOC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)NC1c1ccc(C#N)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.69
▸ CYP2C9 P11712 6/20 0.69
▸ MAPT P10636 1/20 0.54
▸ ALOX12 P18054 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TRPC5 Q9UL62 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL2896028 0.91 ELANE (0.77) ELANECYP2C9MAPTALOX12ALDH1A1
SCHEMBL9914374 0.89 ELANE (0.71) ELANECYP2C9MAPTALOX12ALDH1A1
SCHEMBL2894486 0.86 ELANE (0.78) ELANECYP2C9MAPTALDH1A1LMNA
SCHEMBL2888375 0.86 ELANE (0.69) ELANECYP2C9MAPTALOX12ALDH1A1
SCHEMBL1764175 0.83 ELANE (0.74) ELANECYP2C9MAPTCYP3A4
SCHEMBL3482731 0.82 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL392232 0.82 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL1764353 0.82 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL4547758 0.82 ELANE (0.64) ELANECYP2C9MAPTALOX12ALDH1A1
SCHEMBL9914388 0.80 ELANE (0.62) ELANECYP2C9MAPTALOX12ALDH1A1

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-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-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-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
EP-1546113-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES Bayer HealthCare AG (DE) 2005-06-29 — — EP disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 — — WO disclosed
WO-2004024700-A1 PYRIMIDINONE DERIVATIVES AS THERAPEUTIC AGENTS AGAINST ACUTE AND CHRONIC INFLAMMATORY, ISCHAEMIC AND REMODELLING PROCESSES BAYER HEALTHCARE AG (DE) 2004-03-25 — — 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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 ELANE 59/4885CYP2C9 4171/4885MAPT 4189/4885

“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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