SCHEMBL2273181

SCHEMBL2273181

Nc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccn2n1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.80
NUDT1 P36639 1/20 0.51
JAK3 P52333 9/20 0.47
JAK1 P23458 1/20 0.44
PTK2 Q05397 7/20 0.43
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 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
SCHEMBL18615062 0.92 JAK2 (0.72) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL3226613 0.91 JAK2 (0.74) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2640589 0.89 JAK2 (1.00) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2270892 0.83 JAK2 (0.56) JAK2JAK3PTK2
SCHEMBL18615116 0.81 JAK2 (0.68) JAK2NUDT1JAK3PTK2
SCHEMBL12517049 0.81 JAK2 (0.68) JAK2NUDT1JAK3PTK2
SCHEMBL18615104 0.81 JAK2 (0.80) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL18615218 0.80 JAK2 (0.67) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL15746122 0.80 JAK2 (0.67) JAK2NUDT1JAK3JAK1PTK2
SCHEMBL2277264 0.80 JAK2 (0.62) JAK2NUDT1JAK3JAK1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 3153/4885NUDT1 1439/4885JAK3 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.