SCHEMBL19635116

SCHEMBL19635116

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
ESR1 P03372 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL19615867 0.88 KMT2A (0.39) KMT2ACA12CA1CA2CA7
SCHEMBL19635177 0.88 KMT2A (0.41) KMT2AKDM4EHSD17B10NPC1TP53
SCHEMBL19615265 0.87 KMT2A (0.38) KMT2ACA12CA1CA2CA7
SCHEMBL10427543 0.86 KMT2A (0.41) KMT2AKDM4EHSD17B10NPC1TP53
SCHEMBL19615350 0.86 MEN1 (0.36) KMT2AKDM4ENPC1RAB9AALDH1A1
SCHEMBL15273711 0.85 KMT2A (0.41) KMT2AKDM4EHSD17B10NPC1TP53
SCHEMBL19615273 0.85 NPC1 (0.36) KMT2ACA12CA1CA2CA7
SCHEMBL19634985 0.84 SMN1; SMN2 (0.43) KMT2AKDM4EHSD17B10NPC1TP53
SCHEMBL19615253 0.82 KMT2A (0.39) KMT2AKDM4EHSD17B10NPC1TP53
SCHEMBL19615389 0.82 KMT2A (0.39) KMT2AKDM4EHSD17B10NPC1TP53

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 KMT2A 930/4885CA12 4742/4885CA1 4699/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KMT2A 772/4885CA12 4775/4885CA1 4809/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KMT2A 897/4885CA12 4752/4885CA1 4692/4885

“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.