SCHEMBL15412129

SCHEMBL15412129

Cc1c(Br)cn2ncnc2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
IKBKB O14920 1/20 0.41
BRD4 O60885 1/20 0.41
SLC11A2 P49281 1/20 0.39
HSD17B10 Q99714 2/20 0.38
MAOB P27338 1/20 0.38
TGFBR1 P36897 1/20 0.37
CYP17A1 P05093 1/20 0.37
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 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
SCHEMBL15410886 0.81 KDM4E (0.41) KDM4EALDH1A1IKBKBBRD4SLC11A2
SCHEMBL15411554 0.79 IKBKB (0.39) KDM4EALDH1A1IKBKBBRD4HSD17B10
SCHEMBL15411073 0.79 IKBKB (0.44) KDM4EALDH1A1IKBKBBRD4HSD17B10
SCHEMBL15411397 0.79 PTPN11 (0.42) KDM4EIKBKBBRD4SLC11A2HSD17B10
SCHEMBL15411356 0.77 GRM5 (0.42) KDM4EALDH1A1IKBKBBRD4SLC11A2
SCHEMBL15411624 0.74 IKBKB (0.46) KDM4EALDH1A1IKBKBBRD4SLC11A2
SCHEMBL15411627 0.74 IKBKB (0.54) ALDH1A1IKBKBBRD4SLC11A2GAA
SCHEMBL15410377 0.73 ADORA2A (0.45) ALDH1A1ATMMAPTSMN1; SMN2
SCHEMBL15410199 0.71 IKBKB (0.45) KDM4EALDH1A1IKBKBBRD4SLC11A2
SCHEMBL15412147 0.70 JAK2 (0.36) ALDH1A1IKBKBBRD4MAOBCYP1A2

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 11 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
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
WO-2014009425-A1 INHIBITION OF ENZYMES CHIESI FARMACEUTICI S.P.A. (IT) 2014-01-16 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-20140018345-A1 INHIBITION OF ENZYMES SERPINB1, ELANE, MPO KDM4E 3554/4885ALDH1A1 134/4885IKBKB 3413/4885

“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.