SCHEMBL19615228

SCHEMBL19615228

COCCn1nc(CO)c(Br)c1CN1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2A13 Q16696 1/20 0.31
PDE5A O76074 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL19635404 0.87 ALDH1A1 (0.40) KMT2AALDH1A1HTTPIK3CDPIK3R2
SCHEMBL19634925 0.81 LMNA (0.37) ALDH1A1HTTLMNASMN1; SMN2CYP2A13
SCHEMBL19615245 0.81 KMT2A (0.44) KMT2AALDH1A1HTTLMNASMN1; SMN2
SCHEMBL19635653 0.79 PIM1 (0.37) KMT2AALDH1A1LMNASMN1; SMN2PDE5A
SCHEMBL19635650 0.74 ALDH1A1 (0.37) KMT2AALDH1A1LMNAPDE5AMAPK1
SCHEMBL19634970 0.73 LMNA (0.37) ALDH1A1HTTLMNASMN1; SMN2CYP2A13
SCHEMBL19635542 0.73 LMNA (0.40) KMT2AALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL19615279 0.70 CNR1 (0.35) ALDH1A1HTT
SCHEMBL19615281 0.68 LMNA (0.39) KMT2AALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL19635553 0.68 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2

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 10 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
EP-3458459-A1 MACROCYCLIC INDOLE DERIVATIVES Bayer Aktiengesellschaft (DE) 2019-03-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO 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 KMT2A 930/4885TDP1 1748/4885ALDH1A1 1451/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KMT2A 772/4885TDP1 2279/4885ALDH1A1 1443/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KMT2A 897/4885TDP1 1836/4885ALDH1A1 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.