SCHEMBL2275982

SCHEMBL2275982

COC1CN(C(=O)OC(C)(C)C)CCC1Nc1nc2c(-c3ccc(F)c(F)c3)cccn2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.55
PTK2 Q05397 19/20 0.55
JAK2 O60674 18/20 0.55
JAK1 P23458 1/20 0.44

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
SCHEMBL2275986 1.00 JAK3 (0.55) JAK3PTK2JAK2JAK1
SCHEMBL2276327 0.90 JAK1 (0.45) JAK3PTK2JAK2JAK1
SCHEMBL2269156 0.80 JAK3 (0.55) JAK3PTK2JAK2
SCHEMBL2269151 0.80 JAK3 (0.55) JAK3PTK2JAK2
SCHEMBL2269535 0.80 JAK3 (0.55) JAK3PTK2JAK2
SCHEMBL21886844 0.79 JAK3 (0.52) JAK3PTK2JAK2JAK1
SCHEMBL18614992 0.79 JAK3 (0.52) JAK3PTK2JAK2JAK1
SCHEMBL18636421 0.79 JAK3 (0.52) JAK3PTK2JAK2JAK1
SCHEMBL2362817 0.77 PSEN1 (0.43) JAK3PTK2JAK2JAK1
SCHEMBL2273235 0.77 PSEN1 (0.43) JAK3PTK2JAK2JAK1

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 3 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
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 JAK3 4312/4885PTK2 1849/4885JAK2 3153/4885

“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.