SCHEMBL4152986

SCHEMBL4152986

C#CCNC(=O)c1cc(I)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.50
NOTUM Q6P988 1/20 0.47
CCR1 P32246 4/20 0.42
CYP1A2 P05177 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPY5R Q15761 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL2272178 0.86 ELANE (0.56) ELANENOTUMCCR1CYP1A2BRD9
SCHEMBL561039 0.84 ELANE (0.65) ELANENOTUMCCR1CYP1A2LMNA
SCHEMBL8053624 0.84 ELANE (0.49) ELANENOTUMCCR1CYP1A2BRD9
SCHEMBL984085 0.82 NOTUM (0.64) ELANENOTUMCYP1A2BRD9LMNA
SCHEMBL1604233 0.82 KDM4E (0.49) ELANENOTUM
SCHEMBL8229059 0.82 NOTUM (0.51) ELANENOTUMCYP1A2BRD9MAPT
SCHEMBL27643868 0.82 ELANE (0.57) ELANENOTUMCCR1
SCHEMBL4137643 0.82 PDE4B (0.50) ELANENOTUM
SCHEMBL27716691 0.82 NOTUM (0.53) ELANENOTUMCYP1A2BRD9LMNA
SCHEMBL560875 0.81 ELANE (0.77) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE HANSEN PETER 2009-05-21 US disclosed
EP-1861370-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2007-12-05 EP disclosed
WO-2006098683-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-09-21 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-20090131483-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885NOTUM 2923/4885CCR1 135/4885

“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.