SCHEMBL2249571

SCHEMBL2249571

Nc1nc2c(-c3ccc(F)c(F)c3)cc(C(F)(F)F)cn2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.52
FEN1 P39748 6/20 0.39
ALOX5AP P20292 5/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
MPL P40238 1/20 0.37
JAK3 P52333 3/20 0.37
PTK2 Q05397 3/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2256469 0.85 JAK2 (0.42) JAK2FEN1ALOX5APJAK3PTK2
SCHEMBL12078777 0.84 JAK2 (0.37) JAK2FEN1ALOX5APPTGS2PTGS1
SCHEMBL18615267 0.84 JAK2 (0.46) JAK2FEN1ALOX5APMPLJAK3
SCHEMBL2253351 0.82 JAK2 (0.40) JAK2FEN1ALOX5APPIK3CDPIK3CB
SCHEMBL2253478 0.81 ALDH1A1 (0.42) JAK2PIK3CDPIK3CBPIK3CGSMN1; SMN2
SCHEMBL7851859 0.80 JAK2 (0.44) JAK2MPLPIK3CDPIK3CBPIK3CG
SCHEMBL2640410 0.79 JAK2 (0.60) JAK2PTGS2PTGS1JAK3PTK2
SCHEMBL2249603 0.78 MPL (0.45) JAK2MPLPIK3CDPIK3CBPIK3CG
SCHEMBL2257705 0.75 JAK2 (0.64) JAK2FEN1ALOX5APJAK3PTK2
SCHEMBL13535586 0.74 HPGD (0.51) JAK2ALDH1A1LMNA

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-2681214-B1 BRIDGED PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-22 EP disclosed
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8703763-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-22 US disclosed
EP-2681214-A1 BRIDGED PIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP 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
EP-2531503-A1 GAMMA SECRETASE MODULATERS F. Hoffmann-La Roche AG (CH) 2012-12-12 EP disclosed
WO-2012116965-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US 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
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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 (3 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-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 JAK2 3549/4885FEN1 3046/4885ALOX5AP 121/4885
US-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B JAK2 4637/4885FEN1 2306/4885ALOX5AP 317/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 JAK2 3153/4885FEN1 3855/4885ALOX5AP 89/4885

“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.