SCHEMBL1245186

SCHEMBL1245186

CC1=C(C#N)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 1.00
▸ CYP2C9 P11712 5/20 1.00
▸ CYP3A4 P08684 2/20 0.71

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
SCHEMBL1245145 1.00 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL230969 0.89 ELANE (0.80) ELANECYP2C9CYP3A4
SCHEMBL2888398 0.88 ELANE (0.78) ELANECYP2C9CYP3A4
SCHEMBL394677 0.87 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL394085 0.87 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL4449580 0.87 ELANE (0.85) ELANECYP2C9CYP3A4
SCHEMBL395186 0.87 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL391816 0.87 ELANE (1.00) ELANECYP2C9CYP3A4
SCHEMBL586853 0.86 ELANE (0.81) ELANECYP2C9CYP3A4
SCHEMBL396645 0.86 ELANE (0.75) 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 12 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
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-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-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-01-14 — — US disclosed
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION BAYER HEALTHCARE AG (DE) 2010-01-14 — — 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 (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-20080021053-A1 Heterocyclic Derivatives TNNI3, CYP11B2, TNNT2 ELANE 132/4885CYP2C9 838/4885CYP3A4 650/4885
US-20100184788-A1 HETEROCYCLIC DERIVATIVES TNNI3, TNNT2, CYP11B2 ELANE 132/4885CYP2C9 854/4885CYP3A4 664/4885
US-20100010024-A1 USE OF1,4-DIARYL-DIHYDROPYRIMIDINE-2-ON DERIVATIVES FOR TREATING PULMONARY ARTERIAL HYPERTENSION PTGS1, DPYD, PTGIS ELANE 2990/4885CYP2C9 1968/4885CYP3A4 2082/4885

“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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