SCHEMBL987063

SCHEMBL987063

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)cc(C(=O)NCC(O)CNC(=O)c2cc(-c3ccnn3-c3ccc(C#N)cc3)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 17/20 0.82
CCR1 P32246 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PRTN3 P24158 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
SCHEMBL8219783 0.90 ELANE (0.66) ELANECCR1MEN1KMT2A
SCHEMBL2273394 0.90 ELANE (1.00) ELANECCR1MEN1KMT2A
SCHEMBL27872087 0.90 ELANE (0.82) ELANECCR1MEN1KMT2A
SCHEMBL1604508 0.89 ELANE (0.81) ELANECCR1MEN1KMT2A
SCHEMBL14922185 0.89 ELANE (0.81) ELANECCR1MEN1KMT2A
SCHEMBL1603715 0.88 ELANE (0.72) ELANECCR1MEN1KMT2A
SCHEMBL1604631 0.88 ELANE (0.80) ELANECCR1MEN1KMT2A
SCHEMBL14922184 0.88 ELANE (0.80) ELANECCR1MEN1KMT2A
SCHEMBL1604898 0.88 ELANE (0.78) ELANECCR1MEN1KMT2A
SCHEMBL17378390 0.88 ELANE (0.83) ELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 US claimed
US-10201536-B2 Methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-12 US disclosed
US-20180140597-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS IN PATIENTS SUFFERING FROM CIRRHOSIS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2018-05-24 US disclosed
US-9150588-B2 Substituted pyridazin-4(1H)-ones as phosphodiesterase 10A inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
WO-2014186623-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE BIOMED VALLEY DISCOVERIES (US) 2014-11-20 WO disclosed
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS ASTRAZENECA AB (SE) 2011-01-06 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 (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-10201536-B2 Methods and pharmaceutical compositions for the treatment of bacterial infections in patients suffering from cirrhosis TLR8, TLR7, TLR3 ELANE 99/4885CCR1 144/4885MEN1 4758/4885
US-20180140597-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS IN PATIENTS SUFFERING FROM CIRRHOSIS TLR8, TLR7, TLR3 ELANE 99/4885CCR1 144/4885MEN1 4758/4885
US-20110003858-A1 MULTIMERIC HETEROCYCLIC COMPOUNDS USEFUL AS NEUTROPHIL ELASTASE INHIBITORS SERPINB1, ELANE, MPO ELANE 2/4885CCR1 298/4885MEN1 2355/4885

“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.