SCHEMBL21887066

SCHEMBL21887066

FC(F)(F)c1cccc(-c2ccc(C(F)(F)F)n3nc(N[C@@H]4[C@@H]5CC[C@H]4CNC5)nc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.42
PTK2 Q05397 1/20 0.42
PSEN1 P49768 7/20 0.41
PSEN2 P49810 7/20 0.41
APH1B Q8WW43 7/20 0.41
NCSTN Q92542 7/20 0.41
APH1A Q96BI3 7/20 0.41
PSENEN Q9NZ42 7/20 0.41
KCNH2 Q12809 2/20 0.40
PI4KB Q9UBF8 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
PIM1 P11309 6/20 0.38
FLT3 P36888 2/20 0.38
AURKA O14965 1/20 0.38
GSK3B P49841 1/20 0.38
PLAT P00750 1/20 0.37
JAK3 P52333 1/20 0.37
PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL18614998 1.00 JAK2 (0.42) JAK2PTK2PSEN1PSEN2APH1B
SCHEMBL18614999 1.00 JAK2 (0.42) JAK2PTK2PSEN1PSEN2APH1B
SCHEMBL21887506 0.89 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615233 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887064 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18615234 0.82 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21887065 0.81 PSEN1 (0.43) JAK2PTK2PSEN1PSEN2APH1B
SCHEMBL18615220 0.81 PSEN1 (0.43) JAK2PTK2PSEN1PSEN2APH1B
SCHEMBL18615111 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21886945 0.81 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 2869/4885PTK2 1983/4885PSEN1 3/4885

“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.