SCHEMBL19635650

SCHEMBL19635650

CCc1nn(CCN2CCOCC2)c(CO)c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
PIM1 P11309 3/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 4/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 2/20 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
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL19635653 0.89 PIM1 (0.37) ALDH1A1KDM4EPIM1TP53TSHR
SCHEMBL19615281 0.83 LMNA (0.39) ALDH1A1KDM4EPIM1TP53TSHR
SCHEMBL19616013 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EPIM1TP53TSHR
SCHEMBL19635542 0.77 LMNA (0.40) ALDH1A1KDM4EPIM1GLALMNA
SCHEMBL19634970 0.77 LMNA (0.37) ALDH1A1KDM4ELMNAMAPTHRH3
SCHEMBL19635404 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EPIM1GLALMNA
SCHEMBL19635639 0.75 CYP3A4 (0.45) ALDH1A1KDM4ETSHRLMNAMAPT
SCHEMBL19634925 0.74 LMNA (0.37) ALDH1A1KDM4EPIM1LMNAMAPT
SCHEMBL19615228 0.74 KMT2A (0.36) ALDH1A1KDM4ETP53LMNAKMT2A
SCHEMBL19615346 0.73 GAA (0.37)

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 16 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
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-10-25 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 US disclosed
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2022-09-20 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-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-09-09 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US 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
EP-3710447-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2020-09-23 EP 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 (7 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 ALDH1A1 1451/4885KDM4E 2131/4885PIM1 190/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALDH1A1 1443/4885KDM4E 1858/4885PIM1 168/4885
US-11447504-B2 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 ALDH1A1 747/4885KDM4E 2500/4885PIM1 474/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALDH1A1 1379/4885KDM4E 2044/4885PIM1 200/4885
US-20210253598-A1 ARYL ANNULATED MACROCYCLIC INDOLE DERIVATIVES AHR, IDO1, CCNA1 ALDH1A1 280/4885KDM4E 1339/4885PIM1 197/4885
US-20210277022-A1 MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES CCNT2, CCNL2, CCND2 ALDH1A1 747/4885KDM4E 2500/4885PIM1 474/4885
US-11478451-B1 Macrocyclic chlorine substituted indole derivatives CCNT2, CCNL2, CCND2 ALDH1A1 747/4885KDM4E 2500/4885PIM1 474/4885

“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.