SCHEMBL19616042

SCHEMBL19616042

CCOC(=O)c1c(Br)c(COc2ccc(C3(OC)CCOCC3)cc2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.43
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.34
PIK3CA P42336 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 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
SCHEMBL19634877 0.89 HRH3 (0.41) ALOX5POLBCYP2C9CYP2C19ALDH1A1
SCHEMBL19618968 0.82 MRGPRX4 (0.47) ALDH1A1LMNAPIK3CAMAPTHPGD
SCHEMBL24378183 0.81 ALOX5 (0.45) ALOX5
SCHEMBL19615506 0.81 ALOX5 (0.47) ALOX5
SCHEMBL19615233 0.80 HRH3 (0.39) ALDH1A1LMNAPIK3CAMAPTHPGD
SCHEMBL19635285 0.78 MAPT (0.43) POLBALDH1A1MAPTHPGD
SCHEMBL19635290 0.76 ALDH1A1 (0.41) CYP2C9ALDH1A1LMNAMAPT
SCHEMBL19635143 0.76 MAPK13 (0.43) LMNAMAPT
Hydrochloric Acid SCHEMBL19615637 0.75 MCL1 (0.42) LMNAMAPT
SCHEMBL24378074 0.74 MAPT (0.39) ALDH1A1LMNAMAPTHPGD

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 ALOX5 1436/4885POLB 2024/4885CYP2C9 878/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 ALOX5 1492/4885POLB 2267/4885CYP2C9 478/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 ALOX5 1277/4885POLB 2027/4885CYP2C9 966/4885

“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.