SCHEMBL19635653

SCHEMBL19635653

CCc1c(Br)c(CO)nn1CCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
PDE5A O76074 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 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
SCHEMBL19635650 0.89 ALDH1A1 (0.37) PIM1ALDH1A1KDM4ETP53TSHR
SCHEMBL19635542 0.83 LMNA (0.40) PIM1ALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL19635404 0.81 ALDH1A1 (0.40) PIM1ALDH1A1KDM4EGLASMN1; SMN2
SCHEMBL19615228 0.79 KMT2A (0.36) ALDH1A1KDM4ETP53PDE5ASMN1; SMN2
SCHEMBL19615281 0.77 LMNA (0.39) PIM1ALDH1A1KDM4ETP53TSHR
SCHEMBL19634925 0.77 LMNA (0.37) PIM1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL19615376 0.77 L3MBTL1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2KMT2A
SCHEMBL19635215 0.76 PDE5A (0.35) PIM1ALDH1A1KDM4ETP53TSHR
SCHEMBL19616013 0.73 ALDH1A1 (0.38) PIM1ALDH1A1KDM4ETP53TSHR
SCHEMBL19634970 0.71 LMNA (0.37) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 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 (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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 PIM1 190/4885ALDH1A1 1451/4885KDM4E 2131/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 PIM1 168/4885ALDH1A1 1443/4885KDM4E 1858/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 PIM1 200/4885ALDH1A1 1379/4885KDM4E 2044/4885

“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.