SCHEMBL21887045

SCHEMBL21887045

CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[C@@H]2Nc1nc2c(-c3ccccc3)cccn2n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.55
JAK3 P52333 16/20 0.55
PTK2 Q05397 15/20 0.55
JAK1 P23458 1/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46
NCSTN Q92542 3/20 0.46
APH1A Q96BI3 3/20 0.46
PSENEN Q9NZ42 3/20 0.46
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
SCHEMBL21886917 0.89 JAK3 (0.54) JAK2JAK3PTK2JAK1PSEN1
SCHEMBL18636060 0.89 JAK3 (0.54) JAK2JAK3PTK2JAK1PSEN1
SCHEMBL18615092 0.89 JAK3 (0.54) JAK2JAK3PTK2JAK1PSEN1
SCHEMBL18615149 0.88 JAK2 (0.47) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL21887005 0.88 JAK2 (0.47) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL18636494 0.88 JAK2 (0.47) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL21887511 0.86 PSEN1 (0.63) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL18615145 0.86 PSEN1 (0.63) JAK2JAK3PTK2PSEN1PSEN2
SCHEMBL18614992 0.85 JAK3 (0.52) JAK2JAK3PTK2JAK1PSEN1
SCHEMBL21886844 0.85 JAK3 (0.52) JAK2JAK3PTK2JAK1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 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-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 JAK2 2869/4885JAK3 4320/4885PTK2 1983/4885

“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.