SCHEMBL22436795

SCHEMBL22436795

Cc1c(Br)c(C(O)CCN2CCOCC2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 4/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 2/20 0.33
PIM1 P11309 2/20 0.32
MAPT P10636 2/20 0.32
MPI P34949 1/20 0.32
MAPK1 P28482 1/20 0.32
HBB P68871 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30679119 1.00 ALDH1A1 (0.40) ALDH1A1KDM4ELMNAUSP2KMT2A
SCHEMBL30679099 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAUSP2KMT2A
SCHEMBL22436698 0.84 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAUSP2KMT2A
SCHEMBL22436668 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAUSP2PIM1
SCHEMBL30679120 0.78 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAUSP2PIM1
SCHEMBL23844483 0.77 KDM4E (0.36) ALDH1A1KDM4ELMNAPIM1
SCHEMBL22436737 0.76 CSNK2A1 (0.35) ALDH1A1
SCHEMBL30679095 0.76 CSNK2A1 (0.35) ALDH1A1
SCHEMBL22436703 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2MAPK1TSHR
SCHEMBL22436705 0.74 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2MAPK1TSHR

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
EP-3710456-B1 MACROCYCLIC INDOLE DERIVATIVES BROAD INST INC (US) 2022-09-21 EP disclosed
US-11440923-B2 Substituted macrocyclic indole derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-09-13 US disclosed
US-11401278-B2 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-08-02 US disclosed
US-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-09-23 US disclosed
EP-3710456-A1 MACROCYCLIC INDOLE DERIVATIVES The Broad Institute, Inc. (US) 2020-09-23 EP disclosed
EP-3710451-A1 SUBSTITUTED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 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 (3 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-20210292341-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885KDM4E 2044/4885LMNA 933/4885
US-11401278-B2 Macrocyclic indole derivatives CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885KDM4E 2044/4885LMNA 933/4885
US-11440923-B2 Substituted macrocyclic indole derivatives FOXM1, CCND2, CCNI ALDH1A1 1000/4885KDM4E 1649/4885LMNA 819/4885

“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.