SCHEMBL20021423

SCHEMBL20021423

Cc1cn(-c2ccc(B3OC(C)(C)C(C)(C)O3)nc2CO)cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.34
PSEN2 P49810 19/20 0.34
APH1B Q8WW43 19/20 0.34
NCSTN Q92542 19/20 0.34
APH1A Q96BI3 19/20 0.34
PSENEN Q9NZ42 19/20 0.34
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9225748 0.82 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625738 0.74 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2625739 0.74 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021427 0.71 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3974694 0.70 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16573623 0.69 PIM1 (0.34) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL20021451 0.68 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25318697 0.67 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL31381847 0.67 JAK2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4256093 0.66 PSEN1 (0.41) 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 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-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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.