SCHEMBL2276327

SCHEMBL2276327

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 2/20 0.45
JAK2 O60674 11/20 0.43
JAK3 P52333 10/20 0.43
PTK2 Q05397 10/20 0.43
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
CHRM3 P20309 2/20 0.41
PI4KB Q9UBF8 1/20 0.40

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 0.90 JAK3 (0.55) JAK1JAK2JAK3PTK2
SCHEMBL2275982 0.90 JAK3 (0.55) JAK1JAK2JAK3PTK2
SCHEMBL2273228 0.80 PSEN1 (0.43) JAK1JAK2JAK3PTK2PSEN1
SCHEMBL2362817 0.80 PSEN1 (0.43) JAK1JAK2JAK3PTK2PSEN1
SCHEMBL2273235 0.80 PSEN1 (0.43) JAK1JAK2JAK3PTK2PSEN1
Hydrochloric Acid SCHEMBL2275826 0.79 JAK3 (0.46) JAK1JAK2JAK3PTK2PSEN1
Hydrochloric Acid SCHEMBL2275830 0.79 JAK3 (0.46) JAK1JAK2JAK3PTK2PSEN1
SCHEMBL2277260 0.77 PSEN1 (0.52) JAK1JAK2JAK3PTK2PSEN1
SCHEMBL6904918 0.72 PSEN1 (0.60) JAK1JAK2JAK3PTK2PSEN1
SCHEMBL2268674 0.70 PTK2 (0.48) JAK1JAK2JAK3PTK2PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK1 4402/4885JAK2 3153/4885JAK3 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.