SCHEMBL5205353

SCHEMBL5205353

CC1=C(C#N)C(c2ccc(C#N)nc2)CC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ CYP2C9 P11712 6/20 0.63
▸ ADRB1 P08588 1/20 0.63
▸ HTR1A P08908 1/20 0.63
▸ HRH3 Q9Y5N1 1/20 0.63
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL5205511 0.85 ELANE (1.00) ELANECYP3A4CYP2C9
SCHEMBL1243900 0.85 ELANE (0.79) ELANECYP3A4CYP2C9ADRB1HTR1A
Bay-678 SCHEMBL1245235 0.77 ELANE (1.00) ELANECYP3A4CYP2C9ADRB1HTR1A
Bay-678 SCHEMBL1245297 0.77 ELANE (1.00) ELANECYP3A4CYP2C9ADRB1HTR1A
Bay-677 SCHEMBL4179543 0.77 ELANE (1.00) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL1245423 0.77 ELANE (0.87) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL5202330 0.77 ELANE (0.64) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL1245171 0.76 ELANE (0.85) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL12890398 0.76 ELANE (0.74) ELANECYP3A4CYP2C9ADRB1HTR1A
SCHEMBL8347439 0.76 ELANE (0.59) ELANECYP3A4CYP2C9ADRB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 — — EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 — — US disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 — — US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 — — 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 (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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 ELANE 260/4885CYP3A4 3343/4885CYP2C9 4046/4885

“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.

Send feedback