SCHEMBL15412147

SCHEMBL15412147

Cc1c(Br)cn2nc(NCCC(C)S)nc2c1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.36
JAK3 P52333 1/20 0.36
ELANE P08246 5/20 0.35
IKBKB O14920 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CRHR1 P34998 1/20 0.33
MAT2A P31153 1/20 0.33
MAOB P27338 1/20 0.32
F2RL3 Q96RI0 1/20 0.32
BRD4 O60885 1/20 0.32
BCDIN3D Q7Z5W3 2/20 0.32
PTK2 Q05397 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GSK3B P49841 1/20 0.32

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
SCHEMBL15412148 0.84 JAK2 (0.38) JAK2JAK3ELANEIKBKBALDH1A1
SCHEMBL15410377 0.79 ADORA2A (0.45) JAK2JAK3ALDH1A1
SCHEMBL15411554 0.79 IKBKB (0.39) IKBKBALDH1A1MAT2AMAOBF2RL3
SCHEMBL15410886 0.78 KDM4E (0.41) IKBKBALDH1A1MAOBF2RL3BRD4
SCHEMBL15411119 0.78 ELANE (0.48) ELANE
SCHEMBL15411073 0.77 IKBKB (0.44) JAK2IKBKBALDH1A1MAOBF2RL3
SCHEMBL15412129 0.70 KDM4E (0.46) IKBKBALDH1A1MAOBF2RL3BRD4
SCHEMBL15411081 0.69 PTGS2 (0.48) ELANE
SCHEMBL15411356 0.69 GRM5 (0.42) IKBKBALDH1A1CRHR1F2RL3BRD4
SCHEMBL15411158 0.67 ADORA2A (0.45) JAK2JAK3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9199984-B2 Inhibition of enzymes CHIESI FARMACEUTICI S.P.A. (IT) 2015-12-01 US 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 JAK2 2421/4885JAK3 4077/4885ELANE 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.