SCHEMBL30002881

SCHEMBL30002881

Nc1nc2cc(Br)ccc2cc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
PABPC1 P11940 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 6/20 0.36
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL21682209 1.00 BACE1 (0.50) BACE1PABPC1MEN1KMT2AKDM4E
SCHEMBL21129800 0.83 BACE1 (0.50) BACE1PABPC1MEN1KMT2AKDM4E
SCHEMBL29975503 0.83 BACE1 (0.50) BACE1PABPC1MEN1KMT2AKDM4E
SCHEMBL21682238 0.79 ESR2 (0.39) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL31123833 0.79 BACE1 (0.42) BACE1PABPC1KMT2AALDH1A1HTT
SCHEMBL21682115 0.79 BACE1 (0.42) BACE1PABPC1KMT2AALDH1A1HTT
SCHEMBL31123713 0.79 ESR2 (0.39) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL18571529 0.77 BACE1 (0.55) BACE1PABPC1MEN1KMT2AKDM4E
SCHEMBL31123709 0.77 TLR8 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL22743051 0.76 BACE1 (0.59) BACE1PABPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 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 (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-20220363707-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 BACE1 2546/4885PABPC1 916/4885MEN1 1061/4885
US-12173026-B2 PRMT5 inhibitors PRMT5, PRMT1, PRMT3 BACE1 2546/4885PABPC1 916/4885MEN1 1061/4885

“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.