SCHEMBL2277262

SCHEMBL2277262

FC(F)(F)c1cc(-c2cccn3nc(NC4CCN(c5ccnc(Cl)c5)CC4)nc23)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.47
PTK2 Q05397 8/20 0.47
JAK3 P52333 8/20 0.47
PSEN1 P49768 10/20 0.45
PSEN2 P49810 10/20 0.45
APH1B Q8WW43 10/20 0.45
NCSTN Q92542 10/20 0.45
APH1A Q96BI3 10/20 0.45
PSENEN Q9NZ42 10/20 0.45
PI4KB Q9UBF8 1/20 0.45

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
SCHEMBL2276055 0.90 PSEN1 (0.55) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2272097 0.87 PSEN1 (0.44) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2270188 0.87 PSEN1 (0.48) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL12455242 0.87 PSEN1 (0.47) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2269553 0.87 PSEN1 (0.43) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2276376 0.84 JAK2 (0.48) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2274214 0.83 PSEN1 (0.47) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2273337 0.82 JAK2 (0.50) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2271794 0.82 PSEN1 (0.42) JAK2PTK2JAK3PSEN1PSEN2
SCHEMBL2274685 0.82 PSEN1 (0.44) JAK2PTK2JAK3PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP claimed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP claimed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US claimed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 JAK2 3153/4885PTK2 1849/4885JAK3 4312/4885

“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.