SCHEMBL23629609

SCHEMBL23629609

Fc1ccc(C2OCCCn3nc(Br)nc32)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.40
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
GRM2 Q14416 3/20 0.31
OPRL1 P41146 1/20 0.30
RORC P51449 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
SCHEMBL23629602 0.84 RIPK1 (0.38) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23629603 0.83 RIPK1 (0.44) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23629615 0.80 RIPK1 (0.34) RIPK1
SCHEMBL18367188 0.78 RIPK1 (0.61) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL30714806 0.77 RIPK1 (0.44) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23629607 0.77 RIPK1 (0.44) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23629614 0.75 APP (0.35) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23939507 0.75 RIPK1 (0.50) RIPK1HTR2AHTR2CHTR2B
SCHEMBL14653952 0.74 RIPK1 (0.52) RIPK1PSEN1PSEN2APH1BNCSTN
SCHEMBL18615025 0.70 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12084461-B2 Bicyclic heteroaryl derivatives HOFFMANN-LA ROCHE INC. (US) 2024-09-10 US disclosed
EP-3846903-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
EP-3846903-B1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
US-20210323980-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
US-20210323980-A1 BICYCLIC HETEROARYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2021-10-21 US disclosed
EP-3846903-A1 BICYCLIC HETEROARYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-07-14 EP 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-12084461-B2 Bicyclic heteroaryl derivatives AR, CYP1B1, CYP1A1 RIPK1 4237/4885PSEN1 2562/4885PSEN2 2218/4885
US-20210323980-A1 BICYCLIC HETEROARYL DERIVATIVES AR, CYP1B1, CYP1A1 RIPK1 4237/4885PSEN1 2562/4885PSEN2 2218/4885

“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.