SCHEMBL18615083

SCHEMBL18615083

FC(F)(F)Oc1ccccc1-c1cccn2nc(Br)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.48
JAK3 P52333 6/20 0.43
HSD11B1 P28845 1/20 0.39
KCNN4 O15554 1/20 0.38
S1PR1 P21453 2/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPA1 O75762 1/20 0.37
SCN9A Q15858 3/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PTK2 Q05397 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL18952811 0.87 PSEN1 (0.41) JAK2JAK3HSD11B1S1PR1PDE2A
SCHEMBL18615150 0.84 JAK2 (0.69) JAK2JAK3HSD11B1PDE2APDE10A
SCHEMBL18615051 0.80 JAK2 (0.49) JAK2JAK3PTK2ALDH1A1
SCHEMBL18615177 0.79 JAK2 (0.44) JAK2JAK3HSD11B1TRPA1ALDH1A1
SCHEMBL18615206 0.77 PIM1 (0.44) JAK2JAK3PTK2
SCHEMBL12078804 0.75 JAK2 (0.54) JAK2JAK3PSEN1PSEN2APH1B
SCHEMBL18615123 0.75 JAK2 (0.50) JAK2JAK3SCN9APTK2
SCHEMBL12517037 0.74 NUDT1 (0.52) JAK2JAK3HSD11B1PDE2APDE10A
SCHEMBL18614997 0.74 JAK2 (0.40) JAK2JAK3HSD11B1TRPA1SCN9A
SCHEMBL13963606 0.74 JAK2 (0.40) JAK2JAK3HSD11B1TRPA1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US disclosed
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US disclosed
US-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-08-23 US disclosed
EP-3347363-A1 BRIDGED PIPERIDINE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-18 EP disclosed
WO-2017042114-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 WO disclosed
WO-2017042114-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-16 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 (2 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-20180237432-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 JAK2 2869/4885JAK3 4320/4885HSD11B1 569/4885
US-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 JAK2 2869/4885JAK3 4320/4885HSD11B1 569/4885

“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.