SCHEMBL15411356

SCHEMBL15411356

Cc1cn2cc(Br)c(C)c(-c3cccc(C(F)(F)F)c3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.42
IKBKB O14920 1/20 0.41
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 1/20 0.37
SLC11A2 P49281 1/20 0.37
CYP3A4 P08684 1/20 0.37
GABRA1 P14867 1/20 0.37

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
SCHEMBL15411397 0.82 PTPN11 (0.42) IKBKBBRD4KDM4EHSD17B10KCNH2
SCHEMBL15411827 0.81 PIN1 (0.39) KDM4EALDH1A1SMN1; SMN2CYP1A2MEN1
SCHEMBL15410886 0.80 KDM4E (0.41) IKBKBBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL15411073 0.78 IKBKB (0.44) IKBKBBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL15411554 0.78 IKBKB (0.39) IKBKBBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL15412129 0.77 KDM4E (0.46) IKBKBBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL15411624 0.74 IKBKB (0.46) IKBKBBRD4KDM4EHSD17B10ALDH1A1
SCHEMBL15410377 0.72 ADORA2A (0.45) ALDH1A1SMN1; SMN2
SCHEMBL15411627 0.72 IKBKB (0.54) IKBKBBRD4ALDH1A1CYP1A2CYP2D6
SCHEMBL15410199 0.69 IKBKB (0.45) IKBKBBRD4KDM4EHSD17B10ALDH1A1

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 GRM5 4406/4885IKBKB 3413/4885BRD4 1505/4885

“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.