SCHEMBL3798240

SCHEMBL3798240

CCOC(=O)c1nn2c(c1Br)CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.39
PDE3A Q14432 5/20 0.39
MAPK1 P28482 4/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
PRMT1 Q99873 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3801455 0.96 ALDH1A1 (0.40) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL29777591 0.85 MAPK1 (0.40) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL3799255 0.83 PDE3B (0.39) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL31737069 0.83 MAPT (0.34) MAPK1ALDH1A1MAPTSMN1; SMN2GABRG2
SCHEMBL25985964 0.81 MAPK1 (0.37) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL31336737 0.80 GABRA1 (0.35) MAPK1GABRG2GABRB3GABRA5GABRA1
SCHEMBL25985965 0.80 ALDH1A1 (0.41) PDE3BPDE3AMAPK1GAAALDH1A1
SCHEMBL19635706 0.80 ALDH1A1 (0.39) MAPK1GAAALDH1A1MAPTSMN1; SMN2
SCHEMBL3390958 0.79 ALDH1A1 (0.48) MAPK1GAAALDH1A1MAPTPOLB
SCHEMBL26969083 0.79 ALDH1A1 (0.37) MAPK1ALDH1A1MAPTSMN1; SMN2GABRG2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-15 US disclosed
WO-2023049199-A1 AZOLE COMPOUNDS ZENO MANAGEMENT, INC. (US) 2023-03-30 WO disclosed
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 US disclosed
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-01-26 US disclosed
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 US disclosed
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-08 US disclosed
US-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNITED STATES GOVERNMENT 2019-09-05 US disclosed
US-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNITED STATES GOVERNMENT 2019-09-05 US disclosed
WO-2010117425-A1 CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE BIOGEN IDEC MA INC. (US) 2010-10-14 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 (4 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-20190270739-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT5, PRMT3 PDE3B 1741/4885PDE3A 1619/4885MAPK1 1560/4885
US-11725008-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 PDE3B 1741/4885PDE3A 1619/4885MAPK1 1560/4885
US-11028083-B2 Ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases PRMT1, PRMT5, PRMT3 PDE3B 1741/4885PDE3A 1619/4885MAPK1 1560/4885
US-20230027126-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT5, PRMT3 PDE3B 1741/4885PDE3A 1619/4885MAPK1 1560/4885

“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.