SCHEMBL15411115

SCHEMBL15411115

Cc1c(-c2n[nH]c(=O)n2-c2ccc(C#N)cc2)cn2nc(N)nc2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
IKBKB O14920 1/20 0.39
ELANE P08246 14/20 0.36
MAT2A P31153 1/20 0.35
CYP2C9 P11712 2/20 0.34
KDM5A P29375 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC11A2 P49281 1/20 0.33

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
SCHEMBL15411546 0.87 ELANE (0.38) CYP1A2ELANEMAT2ACYP2C9
SCHEMBL15412110 0.86 ELANE (0.38) ELANEMAT2ACYP2C9CYP3A4
SCHEMBL15411071 0.85 GRM5 (0.36) CYP1A2IKBKBELANEMAT2ACYP2C9
SCHEMBL15414869 0.83 JAK2 (0.42) CYP1A2IKBKBELANEMAT2ACYP2C9
SCHEMBL15425510 0.81 PDPK1 (0.36) CYP1A2IKBKBELANEMAT2ACYP2C9
SCHEMBL15410877 0.80 ELANE (0.46) CYP1A2IKBKBELANEMAT2ACYP2C9
SCHEMBL15411727 0.76 ADORA2A (0.39) ELANEMAT2ACYP2C9CYP3A4
SCHEMBL15412214 0.76 ADORA2A (0.39) ELANEMAT2A
SCHEMBL15426622 0.74 SLC5A1 (0.41) ELANE
SCHEMBL15411163 0.72 ELANE (0.46) CYP1A2ELANEMAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872509-B1 INHIBITION OF ENZYMES CHIESI FARMA SPA (IT) 2016-09-14 EP disclosed
EP-2872509-B1 INHIBITION OF ENZYMES CHIESI FARMA SPA (IT) 2016-09-14 EP disclosed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US disclosed
EP-2872509-A1 INHIBITION OF ENZYMES Chiesi Farmaceutici S.p.A. (IT) 2015-05-20 EP disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 US disclosed
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 WO disclosed
US-20140018345-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A (IT) 2014-01-16 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-20140018345-A1 INHIBITION OF ENZYMES SERPINB1, ELANE, MPO CYP1A2 114/4885IKBKB 3413/4885ELANE 2/4885

“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.