SCHEMBL20047804

SCHEMBL20047804

COc1cc(Nc2nc3n(n2)CCCN3c2ccc(F)c(F)c2)ccc1-n1cnc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.55
PSEN2 P49810 19/20 0.55
APH1B Q8WW43 19/20 0.55
NCSTN Q92542 19/20 0.55
APH1A Q96BI3 19/20 0.55
PSENEN Q9NZ42 19/20 0.55
UGT1A1 P22309 1/20 0.43
KCNH2 Q12809 1/20 0.43
SLCO1B1 Q9Y6L6 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
SCHEMBL29877497 1.00 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048091 0.98 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877147 0.95 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047850 0.95 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29878281 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877081 0.92 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20048127 0.92 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20047773 0.92 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2253395 0.91 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29877495 0.90 PSEN1 (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP claimed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US claimed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US claimed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
EP-3523304-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-01-27 EP disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-10647721-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2020-05-12 US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
US-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
WO-2018065340-A1 BICYCLIC HETEROARYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-04-12 WO 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 (2 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-20190233427-A1 BICYCLIC HETEROARYL DERIVATIVES HUWE1, CDR2, DBH PSEN1 40/4885PSEN2 24/4885APH1B 17/4885
US-10647721-B2 Bicyclic heteroaryl derivatives HUWE1, CDR2, DBH PSEN1 40/4885PSEN2 24/4885APH1B 17/4885

“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.