SCHEMBL20021809

SCHEMBL20021809

COc1nc(-c2cc(C)c(N[C@@H](C)c3cccc(C(F)(F)F)c3F)nn2)ccc1-n1cnc(C)c1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.70
PSEN1 P49768 10/20 0.69
PSEN2 P49810 10/20 0.69
APH1B Q8WW43 10/20 0.69
NCSTN Q92542 10/20 0.69
APH1A Q96BI3 10/20 0.69
PSENEN Q9NZ42 10/20 0.69
KRAS P01116 4/20 0.47
SOS1 Q07889 4/20 0.47
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL28414279 1.00 APP (0.70) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021881 0.93 PSEN1 (0.70) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28416574 0.93 PSEN1 (0.70) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL21734157 0.91 APP (0.76) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021838 0.90 APP (0.77) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28414274 0.90 APP (0.77) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021396 0.88 APP (0.54) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021925 0.88 PSEN1 (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28414472 0.88 PSEN1 (0.72) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17714403 0.87 APP (0.77) APPPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11117884-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2021-09-14 US disclosed
CN-107406423-B Potent gamma-secretase modulators 通用医疗公司 2020-06-16 CN disclosed
US-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-10472346-B2 Potent gamma-secretase modulators THE GENERAL HOSPITAL CORPORATION (US) 2019-11-12 US disclosed
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 (4 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-20200055840-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, GSAP APP 4/4885PSEN1 6/4885PSEN2 8/4885
US-10472346-B2 Potent gamma-secretase modulators BACE1, BACE2, APP APP 3/4885PSEN1 4/4885PSEN2 7/4885
US-11117884-B2 Potent gamma-secretase modulators BACE1, BACE2, GSAP APP 4/4885PSEN1 6/4885PSEN2 8/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP APP 3/4885PSEN1 4/4885PSEN2 7/4885

“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.