SCHEMBL14737934

SCHEMBL14737934

NC(=O)C1(c2cccc(Br)c2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CTSD P07339 1/20 0.45
BACE1 P56817 1/20 0.45
PARP1 P09874 1/20 0.44
HDAC4 P56524 3/20 0.44
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HCAR3 P49019 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HPGD P15428 1/20 0.38
C1S P09871 1/20 0.37
ALOX5 P09917 1/20 0.37
TP53 P04637 1/20 0.37
SYK P43405 1/20 0.36

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
SCHEMBL31292857 0.97 LMNA (0.51) LMNACTSDBACE1PARP1HDAC4
SCHEMBL3170834 0.95 LMNA (0.54) LMNACTSDBACE1PARP1HDAC4
SCHEMBL30016494 0.93 PARP1 (0.47) LMNACTSDBACE1PARP1HDAC4
SCHEMBL3926671 0.93 PARP1 (0.47) LMNACTSDBACE1PARP1HDAC4
SCHEMBL332753 0.86 ALOX5 (0.50) LMNACTSDBACE1PARP1ALDH1A1
SCHEMBL1492825 0.85 AKR1C1 (0.59) CTSDBACE1HDAC4ALDH1A1SMN1; SMN2
SCHEMBL1233145 0.83 HDAC4 (0.51) LMNACTSDBACE1PARP1HDAC4
SCHEMBL30891976 0.82 PARP1 (0.43) LMNACTSDBACE1PARP1HDAC4
SCHEMBL29238309 0.82 PARP1 (0.43) LMNACTSDBACE1PARP1HDAC4
SCHEMBL4502888 0.81 AKR1C1 (0.65) HDAC4ALDH1A1SMN1; SMN2GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
WO-2025024030-A2 MOLECULAR GLUES TARGETING A TRANSCRIPTIONAL REGULATOR OF ABERRANT METABOLIC STATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-01-30 WO disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
EP-3362445-B1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2023-01-25 EP disclosed
US-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-09-27 US disclosed
EP-3362445-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2018-08-22 EP disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
WO-2017065473-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-20 WO disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (2 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-20180273495-A1 OXADIAZOLE AMINE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC6, HDAC2 LMNA 3026/4885CTSD 2117/4885BACE1 3204/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 LMNA 4873/4885CTSD 1825/4885BACE1 4028/4885

“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.