SCHEMBL19635570

SCHEMBL19635570

CCOC(=O)c1nn(CCN(C)C)c(C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.35
ALOX12 P18054 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL19635863 0.82 MAPT (0.40) MAPTALDH1A1SMN1; SMN2MAPK1PDE4D
SCHEMBL19622608 0.78 KMT2A (0.37) MAPTALDH1A1SMN1; SMN2MAPK1PDE4D
SCHEMBL4158664 0.77 MAPT (0.45) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL19615135 0.76 POLB (0.44) ALDH1A1SMN1; SMN2KMT2AHSD17B10HPGD
SCHEMBL22436862 0.74 DUT (0.36) MAPTALDH1A1SMN1; SMN2MAPK1PDE4D
SCHEMBL14857659 0.73 CYP19A1 (0.58) MAPTALDH1A1SMN1; SMN2MAPK1PDE4D
SCHEMBL15229822 0.72 PDE4A (0.40) MAPTALDH1A1SMN1; SMN2MAPK1PDE4D
SCHEMBL4148044 0.71 BRD4 (0.40) MAPTALDH1A1SMN1; SMN2PDE4DPDE4A
SCHEMBL31336735 0.71 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MAPK1HSD17B10
SCHEMBL24687912 0.70 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A

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 MAPT 2810/4885ALDH1A1 1451/4885SMN1; SMN2 4099/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MAPT 2202/4885ALDH1A1 1443/4885SMN1; SMN2 4139/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MAPT 3026/4885ALDH1A1 1379/4885SMN1; SMN2 4202/4885

“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.