SCHEMBL19635104

SCHEMBL19635104

CCOC(=O)c1c(Br)c(COCc2ccccc2)nn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
PDE4D Q08499 1/20 0.41
MAPK1 P28482 2/20 0.40
CSNK1D P48730 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.39
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL19615867 0.85 KMT2A (0.39) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL19635285 0.84 MAPT (0.43) SMN1; SMN2POLBALDH1A1MAPTGAA
SCHEMBL19635116 0.79 KMT2A (0.39) SMN1; SMN2POLBALDH1A1MAPTGAA
SCHEMBL19615265 0.78 KMT2A (0.38) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL38660440 0.78 TSHR (0.46) SMN1; SMN2POLBALDH1A1MAPTGAA
SCHEMBL10427543 0.78 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL19615389 0.77 KMT2A (0.39) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL15273711 0.76 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTGAAKDM4E
SCHEMBL19635177 0.76 KMT2A (0.41) SMN1; SMN2POLBALDH1A1MAPTGAA
SCHEMBL19615273 0.76 NPC1 (0.36) SMN1; SMN2ALDH1A1MAPTGAAKDM4E

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 SMN1; SMN2 4099/4885POLB 2024/4885ALDH1A1 1451/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 SMN1; SMN2 4139/4885POLB 2267/4885ALDH1A1 1443/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 SMN1; SMN2 4202/4885POLB 2027/4885ALDH1A1 1379/4885

“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.