SCHEMBL4136626

SCHEMBL4136626

CNC(=O)c1cc(Sc2ccc(C#N)nc2)c(C)n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.55
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
CYP2C9 P11712 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CTSK P43235 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 1/20 0.37
CCR1 P32246 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4128967 0.85 ELANE (0.60) ELANECYP2C9NOTUMBRAFCYP1A2
SCHEMBL4132088 0.83 ELANE (0.53) ELANEADRB1HTR1ACYP2C9HRH3
SCHEMBL4135840 0.82 ELANE (0.52) ELANEADRB1HTR1ACYP2C9HRH3
SCHEMBL8067137 0.78 ELANE (0.52) ELANECYP2C9NOTUM
SCHEMBL8067084 0.77 ELANE (0.52) ELANECYP2C9NOTUM
SCHEMBL4126909 0.75 ELANE (0.57) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL8234861 0.75 ELANE (0.48) ELANEADRB1HTR1ACYP2C9HRH3
SCHEMBL8054782 0.75 ELANE (0.48) ELANECYP2C9NOTUMCYP1A2
SCHEMBL2272178 0.75 ELANE (0.56) ELANENOTUMSMN1; SMN2KDM4EALDH1A1
SCHEMBL4136719 0.74 ELANE (0.58) ELANECYP2C9NOTUM

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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2009-04-23 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-20090105239-A1 2-PYRIDINE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE SERPINB1, ELANE, MPO ELANE 2/4885ADRB1 916/4885HTR1A 3601/4885

“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.