SCHEMBL19635285

SCHEMBL19635285

CCOC(=O)c1c(Br)c(COc2ccccc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK10 P53779 1/20 0.42
HPGD P15428 1/20 0.42
PDE4D Q08499 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL19635290 0.85 ALDH1A1 (0.41) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL19635104 0.84 SMN1; SMN2 (0.42) MAPTALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL19615366 0.82 VDR (0.38) MAPTTSHRHSD17B10HPGDMEN1
SCHEMBL19618968 0.82 MRGPRX4 (0.47) MAPTALDH1A1GAASMN1; SMN2HPGD
SCHEMBL19635143 0.81 MAPK13 (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL19615867 0.80 KMT2A (0.39) MAPTALDH1A1GAASMN1; SMN2TSHR
SCHEMBL19635116 0.80 KMT2A (0.39) MAPTALDH1A1GAASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL19615637 0.80 MCL1 (0.42) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL19615233 0.80 HRH3 (0.39) MAPTALDH1A1GAASMN1; SMN2TSHR
SCHEMBL24378074 0.79 MAPT (0.39) MAPTALDH1A1GAASMN1; SMN2TSHR

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 1451/4885GAA 3918/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 MAPT 2202/4885ALDH1A1 1443/4885GAA 4215/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 MAPT 3026/4885ALDH1A1 1379/4885GAA 4042/4885

“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.