SCHEMBL544859

SCHEMBL544859

Nc1ccnn1-c1cccc(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
ALDH1A1 P00352 3/20 0.41
DHFR P00374 2/20 0.41
MGLL Q99685 1/20 0.41
NPBWR1 P48145 1/20 0.39
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD2 P25440 1/20 0.35
GSK3B P49841 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
Hydrochloric Acid SCHEMBL18692736 0.98 POLB (0.59) POLBALDH1A1DHFRMGLLNPBWR1
SCHEMBL15554404 0.79 MGLL (0.41) POLBALDH1A1DHFRMGLLNPBWR1
SCHEMBL28079250 0.79 NPBWR1 (0.42) POLBALDH1A1DHFRMGLLNPBWR1
SCHEMBL544667 0.79 POLB (0.61) POLBMGLLKMT2ANPC1MAPT
SCHEMBL544860 0.79 POLB (0.61) POLBALDH1A1MEN1KMT2ANPC1
SCHEMBL15428751 0.79 POLB (0.61) POLBALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL18092936 0.79 NPBWR1 (0.42) POLBALDH1A1DHFRMGLLNPBWR1
SCHEMBL2555958 0.79 NPBWR1 (0.45) POLBALDH1A1DHFRMGLLNPBWR1
SCHEMBL544287 0.79 POLB (0.61) POLBALDH1A1MGLLNPBWR1ATM
SCHEMBL4951229 0.77 POLB (0.64) POLBALDH1A1MGLLNPBWR1MEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473285-B2 DCN-1 modulating compounds and methods of use thereof CELLARITY, INC. (US) 2025-11-18 US disclosed
US-12435087-B2 Modulators of DCN-1 and methods of use thereof CELLARITY, INC. (US) 2025-10-07 US disclosed
US-20250257063-A1 DCN-1 MODULATING COMPOUNDS AND METHODS OF USE THEREOF THAMES PHARMA PARTNERS 2025-08-14 US disclosed
US-20250163058-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF THAMES PHARMA PARTNERS 2025-05-22 US disclosed
US-20250163057-A1 DCN-1 MODULATING COMPOUNDS AND METHODS OF USE THEREOF THAMES PHARMA PARTNERS 2025-05-22 US disclosed
WO-2025096981-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF CELLARITY, INC. (US) 2025-05-08 WO disclosed
WO-2025096956-A1 DCN-1 MODULATING COMPOUNDS AND METHODS OF USE THEREOF CELLARITY, INC. (US) 2025-05-08 WO disclosed
CN-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 US 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 (7 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-12473285-B2 DCN-1 modulating compounds and methods of use thereof DCUN1D1, DCUN1D2, DCUN1D4 POLB 3000/4885ALDH1A1 822/4885DHFR 1509/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 POLB 4407/4885ALDH1A1 4132/4885DHFR 3806/4885
US-20250163057-A1 DCN-1 MODULATING COMPOUNDS AND METHODS OF USE THEREOF DCUN1D1, DCUN1D2, DCUN1D4 POLB 3000/4885ALDH1A1 822/4885DHFR 1509/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP POLB 4146/4885ALDH1A1 2930/4885DHFR 3072/4885
US-20250163058-A1 MODULATORS OF DCN-1 AND METHODS OF USE THEREOF DCUN1D1, DCUN1D2, DCUN1D4 POLB 2872/4885ALDH1A1 847/4885DHFR 1733/4885
US-20250257063-A1 DCN-1 MODULATING COMPOUNDS AND METHODS OF USE THEREOF DCUN1D1, DCUN1D2, DCUN1D4 POLB 3000/4885ALDH1A1 822/4885DHFR 1509/4885
US-12435087-B2 Modulators of DCN-1 and methods of use thereof DCUN1D1, DCUN1D2, DCUN1D4 POLB 2872/4885ALDH1A1 847/4885DHFR 1733/4885

“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.