SCHEMBL1764001

SCHEMBL1764001

CCN1C(=O)N(c2cccc(C(F)(F)F)c2)C(CBr)=C(C(=O)O)[C@H]1c1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 20/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL4448223 0.91 ELANE (0.70) ELANECYP2C9
SCHEMBL4461711 0.90 ELANE (0.68) ELANECYP2C9
SCHEMBL1764354 0.88 ELANE (0.77) ELANECYP2C9CYP3A4
SCHEMBL3482734 0.88 ELANE (0.77) ELANECYP2C9CYP3A4
SCHEMBL14899930 0.85 ELANE (0.70) ELANECYP2C9
SCHEMBL1134160 0.83 ELANE (0.83) ELANECYP2C9CYP3A4
SCHEMBL13872750 0.83 ELANE (0.77) ELANECYP2C9CYP3A4
SCHEMBL12593580 0.82 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL1134183 0.82 ELANE (0.71) ELANECYP2C9CYP3A4
SCHEMBL14899953 0.81 ELANE (0.90) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-19 — — 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-20110118221-A1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE QDPR, DPYD, DPP4 ELANE 1816/4885CYP2C9 1333/4885CYP3A4 430/4885

“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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